UCSF

ZINC36680440

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 15 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) 2.50 7.36 -50.66 2 2 1 40 223.727 5
Mid Mid (pH 6-8) 2.50 6.31 -8.29 1 2 0 36 222.719 5

Activity (Go SEA)

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