UCSF

ZINC36636073

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 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) 4.59 12.55 -16.38 0 5 0 48 439.511 4
Mid Mid (pH 6-8) 4.59 14.37 -52.68 1 5 1 49 440.519 4

Activity (Go SEA)

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