UCSF

ZINC20296800

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 17 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) 2.06 4.72 -50.88 3 3 1 50 231.319 4
Lo Low (pH 4.5-6) 2.06 5.2 -91.03 4 3 2 51 232.327 4

Activity (Go SEA)

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