UCSF

ZINC44725245

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 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) 0.79 1.9 -21.4 2 6 0 76 311.407 8
Mid Mid (pH 6-8) 0.79 3.36 -58.04 3 6 1 81 312.415 8

Activity (Go SEA)

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