UCSF

ZINC37809127

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 17 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) 2.05 4.35 -47.31 3 4 1 57 245.387 8
Hi High (pH 8-9.5) 2.05 4.18 -7.47 2 4 0 56 244.379 8

Activity (Go SEA)

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