UCSF

ZINC11991087

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2008 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.91 9.73 -47.01 0 4 -1 66 391.497 5
Mid Mid (pH 6-8) 5.45 10.98 -15.58 1 4 0 63 392.505 5
Mid Mid (pH 6-8) 5.45 11.22 -12.33 1 4 0 63 392.505 5

Activity (Go SEA)

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