UCSF

ZINC25147226

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 28 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) 1.62 5.27 -16.82 2 7 0 103 433.536 6
Hi High (pH 8-9.5) 2.52 4.18 -50.04 1 7 -1 106 432.528 6

Activity (Go SEA)

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