UCSF

ZINC09086211

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 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) 3.50 8.11 -39.58 0 6 -1 79 492.289 7
Mid Mid (pH 6-8) 2.92 7.89 -18.03 0 6 0 73 493.297 7
Mid Mid (pH 6-8) 3.95 6.9 -25.19 1 6 0 76 493.297 6

Activity (Go SEA)

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