UCSF

ZINC52298962

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 12 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) 1.36 4.01 -29.02 2 2 1 16 169.292 1
Hi High (pH 8-9.5) 1.36 3.48 -36.94 2 2 1 20 169.292 1
Lo Low (pH 4.5-6) 1.36 5.37 -104.58 3 2 2 21 170.3 1

Activity (Go SEA)

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