UCSF

ZINC00076044

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2005 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) 0.09 -1.18 -14.55 3 7 0 104 264.237 3
Mid Mid (pH 6-8) 0.55 -3.77 -46.14 2 7 -1 108 263.229 3
Mid Mid (pH 6-8) 0.55 -3.48 -43.66 2 7 -1 108 263.229 3

Activity (Go SEA)

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