UCSF

ZINC33686121

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 30 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) 0.44 10.93 -33.91 4 7 1 101 419.534 5
Mid Mid (pH 6-8) 0.44 10.78 -29.95 4 7 1 101 419.534 5
Mid Mid (pH 6-8) 2.71 10.87 -12.79 3 7 0 99 418.526 5
Mid Mid (pH 6-8) 2.71 10.83 -12.32 3 7 0 99 418.526 5
Mid Mid (pH 6-8) 2.71 10.9 -15.04 3 7 0 99 418.526 5
Mid Mid (pH 6-8) 2.71 10.89 -13.89 3 7 0 99 418.526 5

Activity (Go SEA)

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