UCSF

ZINC00361333

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 21 No

Other Names:

MFCD03235342

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) 2.29 4.5 -18.65 2 5 0 74 284.315 6
Ref Reference (pH 7) 2.29 3.73 -16.21 2 5 0 74 284.315 6
Lo Low (pH 4.5-6) 2.29 4.16 -45.09 3 5 1 76 285.323 6
Lo Low (pH 4.5-6) 2.29 4.85 -45.07 3 5 1 76 285.323 6

Activity (Go SEA)

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