UCSF

ZINC34824202

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 19 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) 2.70 9.67 -94.82 3 3 2 24 263.429 6
Mid Mid (pH 6-8) 2.70 7.43 -35.26 2 3 1 23 262.421 6

Activity (Go SEA)

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