UCSF

ZINC39455382

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2010 24 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) 3.58 11.92 -107.36 2 3 2 18 336.495 7
Hi High (pH 8-9.5) 3.58 10.04 -42.34 1 3 1 17 335.487 7

Activity (Go SEA)

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