UCSF

ZINC37184140

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 17 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) 1.47 2.25 -40.54 2 3 1 23 254.32 6
Hi High (pH 8-9.5) 1.47 1.08 -3.54 1 3 0 19 253.312 6
Mid Mid (pH 6-8) 1.47 4.73 -113.81 3 3 2 24 255.328 6
Mid Mid (pH 6-8) 1.47 3.55 -35.74 2 3 1 20 254.32 6

Activity (Go SEA)

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