UCSF

ZINC05716884

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 19 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) 1.72 5.03 -11.68 1 5 0 63 285.275 4
Ref Reference (pH 7) 2.25 4.05 -17.17 1 5 0 63 285.275 5
Mid Mid (pH 6-8) 2.25 5.13 -35.88 2 5 1 65 286.283 5

Activity (Go SEA)

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