UCSF

ZINC31898461

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 31 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) 2.96 11.35 -55.68 2 7 1 78 441.577 7
Hi High (pH 8-9.5) 2.96 8.92 -20.58 1 7 0 76 440.569 7

Activity (Go SEA)

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