UCSF

ZINC25256330

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2009 19 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) 2.25 6.24 -14.94 1 4 0 59 278.308 4
Hi High (pH 8-9.5) 2.44 5.18 -34.28 0 4 -1 65 277.3 4

Activity (Go SEA)

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