UCSF

ZINC04744828

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 20 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) 2.64 5.05 -14.24 1 5 0 68 292.36 4
Hi High (pH 8-9.5) 2.64 5.14 -50.81 0 5 -1 70 291.352 4
Lo Low (pH 4.5-6) 2.64 5.46 -33.58 2 5 1 70 293.368 4

Activity (Go SEA)

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