UCSF

ZINC63067400

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2011 17 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) 0.74 4.43 -33.98 4 4 1 68 233.339 2
Hi High (pH 8-9.5) 0.74 6.18 -6.59 3 4 0 66 232.331 2
Lo Low (pH 4.5-6) 0.74 4.87 -85.99 5 4 2 69 234.347 2

Activity (Go SEA)

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