UCSF

ZINC34820286

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2009 30 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) 4.28 6.95 -45.46 0 8 -1 98 404.402 6
Mid Mid (pH 6-8) 3.82 8.32 -17.7 1 8 0 95 405.41 6

Activity (Go SEA)

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