UCSF

ZINC02599481

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2004 21 Yes

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) -0.19 4.35 -65.22 3 6 1 77 292.359 4
Hi High (pH 8-9.5) -0.19 3.97 -20.46 2 6 0 76 291.351 4

Activity (Go SEA)

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