UCSF

ZINC28244957

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 30 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) 3.97 8.55 -36.57 0 6 -1 79 439.414 4
Mid Mid (pH 6-8) 3.97 8.49 -15.49 1 6 0 77 440.422 4

Activity (Go SEA)

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