UCSF

ZINC33475239

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2009 34 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) -3.08 6.89 -36.02 3 10 1 119 460.518 6
Mid Mid (pH 6-8) -3.08 9.23 -89.24 4 10 2 120 461.526 6
Lo Low (pH 4.5-6) -3.08 9.67 -154.17 5 10 3 121 462.534 6

Activity (Go SEA)

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