UCSF

ZINC42781999

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 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) 1.53 5.81 -47.63 3 2 1 31 275.338 8
Lo Low (pH 4.5-6) 1.53 7.82 -127.28 4 2 2 32 276.346 8

Activity (Go SEA)

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