UCSF

ZINC19480118

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 19 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) 0.58 4.94 -179.38 5 4 3 40 271.473 4
Hi High (pH 8-9.5) 0.58 2.56 -30.98 3 4 1 37 269.457 4
Mid Mid (pH 6-8) 0.58 2.92 -105.71 4 4 2 39 270.465 4

Activity (Go SEA)

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