UCSF

ZINC19861780

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 20 Yes

Other Names:

MFCD01475932

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) -0.35 0.98 -52.28 3 6 1 70 278.332 3
Hi High (pH 8-9.5) -0.35 0.58 -12.3 2 6 0 68 277.324 3

Activity (Go SEA)

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