UCSF

ZINC37079654

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 1.10 5.45 -132.82 4 5 2 60 296.411 8
Mid Mid (pH 6-8) 1.10 3.14 -53.59 3 5 1 59 295.403 8
Mid Mid (pH 6-8) 1.10 5.37 -36.95 3 5 1 58 295.403 8

Activity (Go SEA)

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