UCSF

ZINC34624304

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 18 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) 2.95 8.11 -17.79 0 3 0 39 237.258 2
Lo Low (pH 4.5-6) 2.95 8.36 -28.13 1 3 1 40 238.266 2

Activity (Go SEA)

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