UCSF

ZINC55310448

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2010 26 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) 2.86 10.68 -17.3 0 5 0 51 350.466 7
Mid Mid (pH 6-8) 2.86 11.1 -31.84 1 5 1 52 351.474 7
Lo Low (pH 4.5-6) 2.86 11.56 -78.82 2 5 2 54 352.482 7

Activity (Go SEA)

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