UCSF

ZINC12741535

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2008 22 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) 3.02 6.44 -11.59 1 4 0 48 297.354 4
Mid Mid (pH 6-8) 3.08 5.18 -32.78 2 4 1 53 298.362 4

Activity (Go SEA)

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