UCSF

ZINC19796906

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 16 Yes

Other Names:

MFCD08318198

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) 1.46 5.15 -6.17 2 5 0 79 217.276 1
Lo Low (pH 4.5-6) 1.46 5.55 -36.15 3 5 1 80 218.284 1

Activity (Go SEA)

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