UCSF

ZINC25760502

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2009 27 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) 0.38 0.76 -15.82 3 12 0 150 375.393 5
Mid Mid (pH 6-8) 0.38 3.09 -47.9 4 12 1 151 376.401 5

Activity (Go SEA)

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