UCSF

ZINC38003752

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 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) 1.00 1.37 -14.55 2 5 0 79 292.36 6
Hi High (pH 8-9.5) 1.00 1.54 -45.69 1 5 -1 81 291.352 6
Lo Low (pH 4.5-6) 1.00 1.83 -46.58 3 5 1 81 293.368 6

Activity (Go SEA)

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