UCSF

ZINC00703588

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 34 Yes

Other Names:

MFCD02130080

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) 4.55 13.37 -15.38 2 9 0 111 452.474 6
Lo Low (pH 4.5-6) 4.73 13.56 -40.25 3 9 1 116 453.482 6

Activity (Go SEA)

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