UCSF

ZINC36771591

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 14 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) -0.39 3.27 -41.95 2 4 1 50 194.258 4
Hi High (pH 8-9.5) -0.39 1.83 -8.84 1 4 0 45 193.25 4
Lo Low (pH 4.5-6) -0.39 3.73 -86.96 3 4 2 51 195.266 4

Activity (Go SEA)

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