UCSF

ZINC29059150

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 17 No

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) 1.84 5.99 -10.03 1 5 0 71 229.239 4
Lo Low (pH 4.5-6) 1.84 6.43 -45.57 2 5 1 72 230.247 4

Activity (Go SEA)

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