UCSF

ZINC33809232

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 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) 1.99 3.62 -7.83 0 4 0 31 253.342 10
Mid Mid (pH 6-8) 1.99 6.1 -34.5 1 4 1 32 254.35 10

Activity (Go SEA)

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