UCSF

ZINC36349099

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 28 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) 3.26 8.47 -10.83 0 5 0 46 373.456 4
Mid Mid (pH 6-8) 3.26 10.82 -51.26 1 5 1 47 374.464 4

Activity (Go SEA)

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