UCSF

ZINC19802564

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 34 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.61 9.23 -377.27 11 6 5 95 471.758 0
Hi High (pH 8-9.5) 1.61 6.62 -158.98 9 6 3 86 469.742 0
Hi High (pH 8-9.5) 1.61 6.63 -164.32 9 6 3 86 469.742 0
Mid Mid (pH 6-8) 1.61 8.09 -278.92 10 6 4 90 470.75 0
Mid Mid (pH 6-8) 1.61 9.33 -394.16 11 6 5 95 471.758 0
Mid Mid (pH 6-8) 1.61 6.64 -176.13 9 6 3 86 469.742 0
Mid Mid (pH 6-8) 1.61 8.01 -270.01 10 6 4 90 470.75 0
Lo Low (pH 4.5-6) 1.61 10.55 -530.93 12 6 6 100 472.766 0

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )