UCSF

ZINC44659238

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 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) 2.25 4.87 -37.8 2 3 1 29 243.415 8
Hi High (pH 8-9.5) 2.25 5.8 -33.24 2 3 1 26 243.415 8

Activity (Go SEA)

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