UCSF

ZINC39369747

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 9 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) 1.18 2.23 -4.17 1 1 0 20 138.191 1
Hi High (pH 8-9.5) 1.18 2.74 -48.9 0 1 -1 23 137.183 1

Activity (Go SEA)

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