UCSF

ZINC44264246

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 15 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) 0.07 3.35 -51.59 4 4 1 69 205.285 4
Hi High (pH 8-9.5) 0.07 2.98 -38.99 3 4 0 68 204.277 4
Hi High (pH 8-9.5) 0.07 3.09 -8.05 3 4 0 68 204.277 4
Lo Low (pH 4.5-6) 0.07 4.04 -115.26 5 4 2 70 206.293 4

Activity (Go SEA)

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