UCSF

ZINC33915469

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 33 No

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) 2.87 15.2 -44.23 1 10 1 109 455.539 8
Mid Mid (pH 6-8) 2.87 13 -9.09 0 10 0 108 454.531 8

Activity (Go SEA)

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