UCSF

ZINC39328828

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 16 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) 1.40 4.28 -43.13 3 4 1 71 216.216 1
Hi High (pH 8-9.5) 1.40 3.88 -13.66 2 4 0 69 215.208 1

Activity (Go SEA)

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