UCSF

ZINC01016640

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 25 Yes

Other Names:

MFCD02955736

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) 4.78 12.58 -18.62 0 4 0 44 324.387 1
Lo Low (pH 4.5-6) 4.78 13.02 -24.86 1 4 1 46 325.395 1

Activity (Go SEA)

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