UCSF

ZINC23259193

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 34 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) 3.58 11.64 -14.86 0 6 0 51 452.558 6
Mid Mid (pH 6-8) 3.58 13.86 -51.29 1 6 1 52 453.566 6

Activity (Go SEA)

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