UCSF

ZINC00134944

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 15 Yes

Other Names:

MFCD00218938

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) 2.89 8.01 -51.18 0 2 -1 40 207.293 2
Lo Low (pH 4.5-6) 2.89 6.04 -4.44 1 2 0 37 208.301 2

Activity (Go SEA)

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