UCSF

ZINC53126212

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 21 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) 1.16 0.57 -37.67 4 5 1 76 302.435 8
Hi High (pH 8-9.5) 1.16 -0.6 -8.18 3 5 0 71 301.427 8

Activity (Go SEA)

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