UCSF

ZINC04649828

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2005 21 Yes

Other Names:

MFCD06249798

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) 3.99 7.78 -5.45 2 3 0 32 322.239 2
Lo Low (pH 4.5-6) 3.99 7.64 -45.01 3 3 1 34 323.247 2

Activity (Go SEA)

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