UCSF

ZINC11991129

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2008 26 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) 5.38 10.63 -13.39 1 4 0 63 384.526 4
Mid Mid (pH 6-8) 5.84 9.27 -47 0 4 -1 66 383.518 4
Mid Mid (pH 6-8) 5.38 10.84 -10.43 1 4 0 63 384.526 4

Activity (Go SEA)

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