UCSF

ZINC41680510

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 19 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) 2.58 8.08 -76.88 3 3 2 24 271.493 6
Hi High (pH 8-9.5) 2.58 8.64 -84.78 3 3 2 21 271.493 6
Lo Low (pH 4.5-6) 2.58 9.63 -176.54 4 3 3 25 272.501 6

Activity (Go SEA)

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