UCSF

ZINC34574770

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 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) 4.45 5.49 -3.78 1 2 0 21 205.301 1
Lo Low (pH 4.5-6) 4.45 6.18 -32.03 2 2 1 26 206.309 1

Activity (Go SEA)

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