UCSF

ZINC06571191

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2006 18 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) -1.94 0.5 -54.53 4 5 1 83 263.346 4
Mid Mid (pH 6-8) -1.94 0.18 -9.79 3 5 0 81 262.338 4
Lo Low (pH 4.5-6) -1.94 0.97 -97.28 5 5 2 84 264.354 4

Activity (Go SEA)

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