UCSF

ZINC31898513

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 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) 2.83 12.08 -48.44 2 8 1 95 455.56 7
Hi High (pH 8-9.5) 2.83 9.64 -16.93 1 8 0 94 454.552 7

Activity (Go SEA)

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