UCSF

ZINC25227277

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 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) 1.92 5.17 -47.5 3 5 1 63 355.256 4
Hi High (pH 8-9.5) 1.92 2.97 -16.24 2 5 0 61 354.248 4

Activity (Go SEA)

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