UCSF

ZINC31899813

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) 2.42 9.78 -62.32 2 8 1 87 441.533 5
Hi High (pH 8-9.5) 2.42 7.34 -25.7 1 8 0 86 440.525 5

Activity (Go SEA)

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