UCSF

ZINC19359538

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 16 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) 1.69 5.06 -36.33 1 3 1 17 221.324 3
Mid Mid (pH 6-8) 1.69 4.99 -37.08 1 3 1 17 221.324 3
Mid Mid (pH 6-8) 1.69 2.59 -3.66 0 3 0 16 220.316 3

Activity (Go SEA)

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