UCSF

ZINC08707234

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2007 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) 0.91 2.63 -11.55 2 4 0 58 236.296 2
Mid Mid (pH 6-8) 1.16 -2.62 -7.32 2 4 0 65 236.296 2

Activity (Go SEA)

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