UCSF

ZINC00433641

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 18 Yes

Other Names:

MFCD01136795

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) 2.19 2.88 -45.44 0 5 -1 70 283.354 5
Mid Mid (pH 6-8) 3.12 3.44 -13.62 1 5 0 72 284.362 4

Activity (Go SEA)

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