UCSF

ZINC02317134

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2005 17 No

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) 4.15 7.84 -33.09 1 2 1 23 358.053 1
Hi High (pH 8-9.5) 4.15 7.44 -7.81 0 2 0 22 357.045 1

Activity (Go SEA)

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