UCSF

ZINC49056008

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 18 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) 1.42 6.87 -39.82 4 5 1 68 250.37 4
Mid Mid (pH 6-8) 1.42 7.31 -74.37 5 5 2 70 251.378 4

Activity (Go SEA)

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