UCSF

ZINC32622119

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2009 33 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) 4.07 10.57 -10.98 0 6 0 63 485.005 6
Mid Mid (pH 6-8) 4.07 12.9 -47.77 1 6 1 64 486.013 6

Activity (Go SEA)

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