UCSF

ZINC40017165

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2010 21 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) 1.67 4.92 -15.83 2 6 0 92 282.255 2
Mid Mid (pH 6-8) 1.67 5.68 -58.71 1 6 -1 95 281.247 2
Lo Low (pH 4.5-6) 1.67 4.97 -30.99 3 6 1 94 283.263 2

Activity (Go SEA)

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