UCSF

ZINC43263043

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 18 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) 1.42 1.23 -51.59 5 4 1 74 335.291 7
Hi High (pH 8-9.5) 1.42 0.54 -7.16 4 4 0 72 334.283 7
Hi High (pH 8-9.5) 1.42 2.51 -32.1 5 4 1 74 335.291 7
Lo Low (pH 4.5-6) 1.42 3.08 -117.02 6 4 2 75 336.299 7

Activity (Go SEA)

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