UCSF

ZINC39318401

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 13 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) 1.78 1.43 -46.29 4 3 1 49 199.661 1
Hi High (pH 8-9.5) 1.78 1.06 -3.46 3 3 0 47 198.653 1

Activity (Go SEA)

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