UCSF

ZINC34686266

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 33 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) 0.97 4.96 -15.5 0 9 0 85 457.527 8
Mid Mid (pH 6-8) 0.97 7.24 -51.93 1 9 1 86 458.535 8

Activity (Go SEA)

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