UCSF

ZINC32226056

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 13 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) 2.61 7.5 -50.68 0 2 -1 40 181.255 3
Lo Low (pH 4.5-6) 2.61 5.52 -5.19 1 2 0 37 182.263 3

Activity (Go SEA)

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