UCSF

ZINC00645516

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 33 Yes

Other Names:

MFCD03847181

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) 4.64 13.86 -14.72 2 7 0 96 456.506 4
Hi High (pH 8-9.5) 4.82 13.74 -37.75 1 7 -1 97 455.498 4

Activity (Go SEA)

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