UCSF

ZINC02794638

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 34 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) 3.16 10.35 -19.58 4 8 0 92 486.548 9
Ref Reference (pH 7) 3.33 10.71 -46.08 5 8 1 97 487.556 9
Hi High (pH 8-9.5) 4.01 9.6 -73.8 3 8 -1 96 485.54 8
Mid Mid (pH 6-8) 3.33 10.03 -18.1 4 8 0 95 486.548 9

Activity (Go SEA)

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