UCSF

ZINC39240989

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 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) 1.80 6.54 -38.67 1 2 1 28 165.26 0
Hi High (pH 8-9.5) 1.80 4.51 -7.25 0 2 0 27 164.252 0

Activity (Go SEA)

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