UCSF

ZINC29838816

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2009 23 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) 1.58 6.72 -46.93 2 5 1 59 311.409 5
Mid Mid (pH 6-8) 1.58 4.44 -9.49 1 5 0 58 310.401 5

Activity (Go SEA)

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