UCSF

ZINC04056452

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 29 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) 3.85 13.4 -13.21 1 8 0 88 400.479 10
Hi High (pH 8-9.5) 4.03 13.17 -37.99 0 8 -1 89 399.471 10
Lo Low (pH 4.5-6) 4.03 13.84 -56.03 2 8 1 92 401.487 10

Activity (Go SEA)

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