UCSF

ZINC07153815

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2006 25 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) 4.58 12.4 -11.2 0 4 0 38 353.491 6
Lo Low (pH 4.5-6) 4.58 12.7 -33.21 1 4 1 39 354.499 6

Activity (Go SEA)

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