UCSF

ZINC44682286

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) 0.12 1.49 -50.95 3 6 1 83 284.361 4
Hi High (pH 8-9.5) 0.12 1.22 -35.89 2 6 0 86 283.353 4

Activity (Go SEA)

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