UCSF

ZINC00083421

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2005 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) 4.10 7.72 -38.37 3 2 1 32 241.358 0
Mid Mid (pH 6-8) 4.10 6.53 -4.79 2 2 0 28 240.35 0

Activity (Go SEA)

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