UCSF

ZINC39367389

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 20 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) 3.08 10.67 -40.7 1 2 1 14 268.38 4
Hi High (pH 8-9.5) 3.08 8.44 -4.31 0 2 0 12 267.372 4

Activity (Go SEA)

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