UCSF

ZINC42473366

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 2.71 5.88 -46.81 3 3 1 44 253.41 8
Mid Mid (pH 6-8) 2.71 7.45 -26.71 3 3 1 44 253.41 8

Activity (Go SEA)

Rings

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