UCSF

ZINC34453138

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 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) 2.43 4.08 -37.86 4 3 1 60 221.324 6
Mid Mid (pH 6-8) 2.43 3.09 -6.94 3 3 0 55 220.316 6

Activity (Go SEA)

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