UCSF

ZINC20900883

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 25 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) 5.00 8.53 -46.89 0 4 -1 61 353.467 3
Mid Mid (pH 6-8) 5.00 8.94 -23.39 1 4 0 59 354.475 3

Activity (Go SEA)

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