UCSF

ZINC02785948

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 30 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) 4.23 10.54 -15.42 2 6 0 92 421.884 4
Mid Mid (pH 6-8) 0.64 9.61 -35.4 3 6 1 95 422.892 3
Lo Low (pH 4.5-6) 0.64 9.94 -111.98 4 6 2 97 423.9 3
Lo Low (pH 4.5-6) 4.23 10.87 -64.29 3 6 1 94 422.892 4

Activity (Go SEA)

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