UCSF

ZINC31897641

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 29 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) 4.83 15.24 -44.92 1 4 1 39 406.575 6
Mid Mid (pH 6-8) 4.83 12.99 -11.52 0 4 0 38 405.567 6

Activity (Go SEA)

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