UCSF

ZINC37095146

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 12 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) 0.89 2.52 -37.08 4 4 1 63 174.268 6
Hi High (pH 8-9.5) 0.89 0.41 -4.6 3 4 0 62 173.26 6

Activity (Go SEA)

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