UCSF

ZINC49089091

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 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) 3.16 3.9 -7.93 1 4 0 42 299.37 5
Mid Mid (pH 6-8) 3.16 6.2 -40.94 2 4 1 43 300.378 5

Activity (Go SEA)

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