UCSF

ZINC04285155

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 25 No

Other Names:

MFCD00612266

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) 1.99 9.63 -12.01 2 8 0 97 340.387 5
Mid Mid (pH 6-8) 2.44 7.08 -55.88 1 8 -1 100 339.379 5

Activity (Go SEA)

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