UCSF

ZINC37081776

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 12 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) 1.31 2.65 -38.15 3 2 1 31 173.324 5
Mid Mid (pH 6-8) 1.30 3.28 -24.25 3 2 1 30 173.324 5
Mid Mid (pH 6-8) 1.31 3.69 -110.22 4 2 2 32 174.332 5

Activity (Go SEA)

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