UCSF

ZINC34553127

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 16 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) 2.28 3.33 -4.86 4 3 0 61 214.268 2
Lo Low (pH 4.5-6) 2.28 3.19 -44.27 5 3 1 63 215.276 2
Lo Low (pH 4.5-6) 2.28 3.17 -39.51 5 3 1 63 215.276 2

Activity (Go SEA)

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