UCSF

ZINC37111297

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 15 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) 1.48 3.76 -46.12 3 3 1 44 211.329 6
Mid Mid (pH 6-8) 1.48 4.96 -27.52 3 3 1 44 211.329 6

Activity (Go SEA)

Rings

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