UCSF

ZINC26156385

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 29 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) 3.86 9.64 -51.84 2 4 -1 81 395.519 7
Lo Low (pH 4.5-6) 3.86 8.52 -14.22 3 4 0 78 396.527 7

Activity (Go SEA)

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