UCSF

ZINC05094015

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2006 24 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) 3.30 7.1 -15.78 3 5 0 74 321.38 5
Lo Low (pH 4.5-6) 2.93 5.86 -46.9 4 5 1 79 322.388 6

Activity (Go SEA)

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