UCSF

ZINC11613978

Substance Information

In ZINC since Heavy atoms Benign functionality
February 29th, 2008 23 Yes

Other Names:

MFCD09266951

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) 3.14 -3.12 -52.03 1 6 -1 96 338.336 6
Hi High (pH 8-9.5) 3.14 -2.55 -94.74 0 6 -2 98 337.328 6

Activity (Go SEA)

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