UCSF

ZINC44627058

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 16 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) 4.02 8.04 -35.6 2 3 1 43 230.372 10
Mid Mid (pH 6-8) 4.02 6.99 -3.07 1 3 0 38 229.364 10

Activity (Go SEA)

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