UCSF

ZINC28284461

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 22 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) 3.30 8.84 -22.1 1 5 0 64 319.43 7
Mid Mid (pH 6-8) 3.48 7.77 -48.63 0 5 -1 70 318.422 7

Activity (Go SEA)

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