UCSF

ZINC45698453

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 18 No

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 9.21 -40.34 1 4 1 26 273.832 7
Hi High (pH 8-9.5) 2.25 6.74 -4.78 0 4 0 24 272.824 7
Lo Low (pH 4.5-6) 2.25 9.34 -84.37 2 4 2 27 274.84 7

Activity (Go SEA)

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