UCSF

ZINC37791298

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 2.47 3.1 -14.21 2 6 0 88 373.228 4
Mid Mid (pH 6-8) 2.47 3.72 -37.82 1 6 -1 90 372.22 4

Activity (Go SEA)

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