UCSF

ZINC37859101

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 18 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) 0.68 0.83 -44.67 3 6 1 83 294.422 7
Mid Mid (pH 6-8) 1.13 -1.5 -58.36 2 6 0 87 293.414 7

Activity (Go SEA)

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