UCSF

ZINC33106291

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 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) 3.51 8.93 -51.42 3 7 1 79 460.602 8
Hi High (pH 8-9.5) 3.51 6.46 -18.6 2 7 0 78 459.594 8
Mid Mid (pH 6-8) 3.51 8.79 -55.6 3 7 1 79 460.602 8

Activity (Go SEA)

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