UCSF

ZINC37034920

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 1.78 5.56 -101.99 5 4 2 61 279.428 8
Hi High (pH 8-9.5) 1.78 5.16 -37.21 4 4 1 60 278.42 8

Activity (Go SEA)

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