UCSF

ZINC23268697

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 3.96 8.21 -24.37 1 6 0 73 351.435 3
Hi High (pH 8-9.5) 4.03 7.3 -50.24 0 6 -1 79 350.427 3

Activity (Go SEA)

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