UCSF

ZINC44726306

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 20 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) 2.21 3.68 -32.79 1 5 0 66 380.695 4
Mid Mid (pH 6-8) 2.21 3.96 -41.16 2 5 1 63 381.703 4

Activity (Go SEA)

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