UCSF

ZINC39125817

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 13 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) -1.17 -0.52 -52.11 4 5 1 75 188.251 5
Hi High (pH 8-9.5) -1.17 -1.85 -15.42 3 5 0 70 187.243 5

Activity (Go SEA)

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