UCSF

ZINC19884797

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 27 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) 4.29 10.76 -8.33 1 3 0 32 357.432 3
Mid Mid (pH 6-8) 4.29 11.1 -38.63 2 3 1 33 358.44 3

Activity (Go SEA)

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