UCSF

ZINC49595683

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 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) 2.79 7.23 -31.31 1 3 1 17 326.258 4
Mid Mid (pH 6-8) 2.79 4.82 -3.09 0 3 0 16 325.25 4
Mid Mid (pH 6-8) 2.79 7.09 -32.88 1 3 1 17 326.258 4

Activity (Go SEA)

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