UCSF

ZINC35042985

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 19 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) 2.93 6.69 -34.98 2 3 1 29 263.405 10
Mid Mid (pH 6-8) 2.93 7.4 -31.93 2 3 1 26 263.405 10

Activity (Go SEA)

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