UCSF

ZINC37996313

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 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) 1.18 4.3 -9.56 2 4 0 65 226.283 4
Hi High (pH 8-9.5) 1.18 4.34 -9.49 2 4 0 65 226.283 4
Mid Mid (pH 6-8) 1.18 5.71 -57.32 3 4 1 69 227.291 4

Activity (Go SEA)

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