UCSF

ZINC37081785

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 2.75 5.6 -125.99 4 3 2 41 292.345 7
Mid Mid (pH 6-8) 2.75 3.97 -45.98 3 3 1 40 291.337 7
Mid Mid (pH 6-8) 2.75 5.88 -31.68 3 3 1 40 291.337 7

Activity (Go SEA)

Rings

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