UCSF

ZINC06786338

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 28 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) 2.53 7.05 -61.5 0 6 -1 79 384.383 7
Mid Mid (pH 6-8) 2.98 0.83 -20.05 1 6 0 76 385.391 6
Mid Mid (pH 6-8) 1.95 0.74 -13.34 0 6 0 72 385.391 7

Activity (Go SEA)

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