UCSF

ZINC16162055

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2008 31 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) 5.68 7.87 -18.08 2 6 0 92 458.605 8
Hi High (pH 8-9.5) 5.68 7.95 -56.84 1 6 -1 94 457.597 8
Hi High (pH 8-9.5) 5.68 7.94 -54.22 1 6 -1 94 457.597 8
Hi High (pH 8-9.5) 5.68 8.01 -123.44 0 6 -2 96 456.589 8

Activity (Go SEA)

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