UCSF

ZINC12730136

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2008 20 No

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) 1.93 3.43 -17.05 2 5 0 74 290.344 5
Mid Mid (pH 6-8) 1.93 3.47 -40.23 1 5 -1 72 289.336 5

Activity (Go SEA)

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