UCSF

ZINC40143101

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 26 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) 5.04 11.52 -19.96 1 4 0 51 370.449 6
Hi High (pH 8-9.5) 5.23 9.13 -47.13 0 4 -1 58 369.441 6

Activity (Go SEA)

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