UCSF

ZINC01889820

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 28 Yes

Other Names:

MFCD03847454

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) 5.11 11.67 -13.27 1 5 0 63 480.193 5
Mid Mid (pH 6-8) 5.11 12.14 -33.36 2 5 1 65 481.201 5
Lo Low (pH 4.5-6) 5.11 11.99 -40.41 2 5 1 65 481.201 5

Activity (Go SEA)

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