UCSF

ZINC34467278

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 11 No

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) 1.34 2.81 -3.2 0 2 0 12 177.675 4
Mid Mid (pH 6-8) 1.34 5.07 -37.53 1 2 1 14 178.683 4

Activity (Go SEA)

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