UCSF

ZINC19015062

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2008 26 No

Other Names:

MFCD01996059

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) 3.49 10.6 -10.14 1 4 0 41 385.558 5
Hi High (pH 8-9.5) 3.95 10.15 -37.76 0 4 -1 44 384.55 5

Activity (Go SEA)

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