UCSF

ZINC13474762

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 15 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) 2.15 2.17 -4.53 0 3 0 25 204.273 2
Lo Low (pH 4.5-6) 2.15 2.89 -27.66 1 3 1 27 205.281 2

Activity (Go SEA)

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