UCSF

ZINC37078361

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 11 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) 1.16 2.04 -42.98 3 2 1 31 159.297 5
Mid Mid (pH 6-8) 1.16 3.34 -29.12 3 2 1 30 159.297 5
Mid Mid (pH 6-8) 1.16 3.71 -115.51 4 2 2 32 160.305 5

Activity (Go SEA)

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