UCSF

ZINC00702507

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 29 Yes

Other Names:

MFCD03861360

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) 3.88 -3.9 -11.42 2 5 0 71 470.392 5
Lo Low (pH 4.5-6) 3.88 -3.79 -46.18 3 5 1 72 471.4 5

Activity (Go SEA)

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