UCSF

ZINC04700091

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2005 27 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) 2.73 -1.81 -50.66 3 5 1 62 369.485 7

Activity (Go SEA)

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