UCSF

ZINC33014163

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2009 34 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) 5.95 12.98 -34.04 3 7 1 81 460.602 9
Mid Mid (pH 6-8) 5.95 13.15 -38.17 3 7 1 81 460.602 9
Mid Mid (pH 6-8) 5.95 12.88 -17.2 2 7 0 79 459.594 9

Activity (Go SEA)

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