UCSF

ZINC20065510

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 31 No

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) 0.58 8.25 -113.28 0 12 -2 192 425.309 7
Lo Low (pH 4.5-6) 0.58 7.42 -55.31 1 12 -1 189 426.317 7

Activity (Go SEA)

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