UCSF

ZINC24081242

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2009 39 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) 4.30 10.72 -58.22 0 8 -1 91 531.629 13
Mid Mid (pH 6-8) 4.30 13.05 -75.08 1 8 0 93 532.637 13

Activity (Go SEA)

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