UCSF

ZINC00479507

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 22 Yes

Other Names:

MFCD04089427

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) 4.13 -2.17 -8.49 1 4 0 55 319.426 6
Hi High (pH 8-9.5) 4.13 -1.69 -41.64 0 4 -1 57 318.418 6

Activity (Go SEA)

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