UCSF

ZINC08328451

Substance Information

In ZINC since Heavy atoms Benign functionality
July 9th, 2006 22 Yes

Other Names:

MFCD02217064

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) 3.01 7.77 -18.22 1 5 0 64 311.366 4
Mid Mid (pH 6-8) 3.08 6.87 -46.55 0 5 -1 70 310.358 4

Activity (Go SEA)

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