UCSF

ZINC13470992

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 22 No

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) 2.80 3.69 -17.84 4 5 0 86 355.872 5
Ref Reference (pH 7) 2.12 3.61 -18.44 4 5 0 84 355.872 6
Hi High (pH 8-9.5) 2.80 3.79 -41.21 3 5 -1 85 354.864 5
Hi High (pH 8-9.5) 2.80 3.26 -39.04 3 5 -1 85 354.864 5

Activity (Go SEA)

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