UCSF

ZINC60709689

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2011 21 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) 4.57 10.04 -46.91 2 2 1 29 324.275 7
Lo Low (pH 4.5-6) 4.57 10.5 -104.03 3 2 2 31 325.283 7

Activity (Go SEA)

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