UCSF

ZINC59726523

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2011 24 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) 4.28 9.92 -107.41 0 4 -2 80 334.456 4
Lo Low (pH 4.5-6) 4.28 7.61 -49.99 1 4 -1 77 335.464 4

Activity (Go SEA)

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