UCSF

ZINC37082231

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) 1.72 6.33 -35.28 1 2 1 28 169.292 5
Mid Mid (pH 6-8) 1.72 4.61 -5.17 0 2 0 27 168.284 5

Activity (Go SEA)

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