UCSF

ZINC41584101

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 3.87 11.39 -46.15 2 6 1 81 376.473 10
Hi High (pH 8-9.5) 3.87 11.96 -24.39 1 6 0 84 375.465 10

Activity (Go SEA)

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