UCSF

ZINC40162381

Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2010 32 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) 3.64 10.54 -13.3 2 7 0 80 452.559 7
Mid Mid (pH 6-8) 3.64 12.77 -51.51 3 7 1 81 453.567 7

Activity (Go SEA)

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