UCSF

ZINC37087272

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 2.17 8.15 -32.97 2 3 1 34 292.353 3
Hi High (pH 8-9.5) 2.17 7.44 -7.73 1 3 0 30 291.345 3
Lo Low (pH 4.5-6) 2.17 8.31 -89.91 3 3 2 36 293.361 3

Activity (Go SEA)

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