UCSF

ZINC34956856

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 19 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) 2.91 7.7 -9.94 1 3 0 38 252.317 2
Mid Mid (pH 6-8) 2.91 8.17 -31.66 2 3 1 39 253.325 2

Activity (Go SEA)

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