UCSF

ZINC37335290

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 18 No

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) 1.78 7.44 -31.77 1 6 0 81 251.286 7
Hi High (pH 8-9.5) 1.78 5.49 -30.35 0 6 -1 80 250.278 7
Mid Mid (pH 6-8) 1.78 7.89 -49.59 2 6 1 83 252.294 7

Activity (Go SEA)

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