UCSF

ZINC41726160

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 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) -0.47 4.61 -38.42 3 2 1 33 165.26 1
Hi High (pH 8-9.5) -0.47 4.3 -4.14 2 2 0 31 164.252 1

Activity (Go SEA)

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