UCSF

ZINC21801808

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 20 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) 5.08 10.82 -36.94 2 1 1 17 272.387 5
Mid Mid (pH 6-8) 5.08 9.73 -4.64 1 1 0 12 271.379 5

Activity (Go SEA)

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