UCSF

ZINC19919693

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 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) 3.54 8.81 -112.96 3 2 2 21 277.239 7
Hi High (pH 8-9.5) 3.54 5.27 -3.64 1 2 0 15 275.223 7
Mid Mid (pH 6-8) 3.54 7.35 -33.84 2 2 1 16 276.231 7
Mid Mid (pH 6-8) 3.54 6.66 -39.87 2 2 1 20 276.231 7

Activity (Go SEA)

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