UCSF

ZINC18203192

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 23 No

Other Names:

MFCD02169765

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) 2.88 8.38 -7.12 3 4 0 62 309.413 4
Lo Low (pH 4.5-6) 2.88 8.43 -34.33 4 4 1 63 310.421 4
Lo Low (pH 4.5-6) 2.88 8.32 -34.53 4 4 1 63 310.421 4

Activity (Go SEA)

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