UCSF

ZINC37110005

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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) 1.49 7.48 -33.62 3 2 1 30 235.395 5
Mid Mid (pH 6-8) 1.49 7.82 -123.22 4 2 2 32 236.403 5
Mid Mid (pH 6-8) 1.49 6.21 -39.51 3 2 1 31 235.395 5

Activity (Go SEA)

Rings

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