UCSF

ZINC62947375

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 20 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) 3.89 3.71 -8.82 2 4 0 65 267.332 2
Lo Low (pH 4.5-6) 3.89 4.17 -34.83 3 4 1 66 268.34 2

Activity (Go SEA)

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