UCSF

ZINC02566317

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 22 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) 2.53 3.62 -11.12 3 6 0 91 297.314 4
Hi High (pH 8-9.5) 2.53 4.4 -52.95 2 6 -1 94 296.306 4
Lo Low (pH 4.5-6) 2.53 3.98 -36.09 4 6 1 92 298.322 4

Activity (Go SEA)

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