UCSF

ZINC37809383

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 12 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) -0.85 -0.99 -43.51 4 4 1 68 175.252 5
Hi High (pH 8-9.5) -0.85 -1.27 -7.84 3 4 0 67 174.244 5

Activity (Go SEA)

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