UCSF

ZINC34415338

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 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) 1.54 5.29 -39.21 2 2 1 20 205.325 4
Lo Low (pH 4.5-6) 1.54 7.55 -117.95 3 2 2 21 206.333 4

Activity (Go SEA)

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