UCSF

ZINC34939997

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 17 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) 1.68 1.97 -9.69 2 4 0 65 225.251 1
Lo Low (pH 4.5-6) 1.68 2.39 -34.44 3 4 1 66 226.259 1

Activity (Go SEA)

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