UCSF

ZINC19432576

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 18 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) 0.59 4.98 -15.73 0 4 0 47 243.31 2
Mid Mid (pH 6-8) 0.59 7.36 -62.93 1 4 1 49 244.318 2

Activity (Go SEA)

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