UCSF

ZINC00199665

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 20 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) 2.89 9.44 -36.57 1 3 1 25 295.472 5
Mid Mid (pH 6-8) 2.89 7.22 -7.46 0 3 0 24 294.464 5

Activity (Go SEA)

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