UCSF

ZINC20485322

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 21 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) 2.22 7.43 -39.89 3 4 1 49 293.431 9
Mid Mid (pH 6-8) 2.22 7.79 -146.85 4 4 2 51 294.439 9

Activity (Go SEA)

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