UCSF

ZINC33700425

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 33 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) 1.71 7.24 -19.13 0 9 0 85 457.527 10
Mid Mid (pH 6-8) 1.71 9.59 -46.94 1 9 1 86 458.535 10

Activity (Go SEA)

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