UCSF

ZINC37038978

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) -0.13 2.69 -54.88 3 5 1 60 270.397 5
Mid Mid (pH 6-8) -0.13 4.33 -128.16 4 5 2 62 271.405 5

Activity (Go SEA)

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