UCSF

ZINC19984098

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 21 Yes

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) 4.07 10.6 -36.88 2 2 1 16 283.439 6
Hi High (pH 8-9.5) 4.07 8.58 -2.63 1 2 0 15 282.431 6
Lo Low (pH 4.5-6) 4.07 11.72 -123.94 3 2 2 21 284.447 6

Activity (Go SEA)

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