UCSF

ZINC29161463

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 21 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) 2.05 5.5 -54.26 3 5 1 63 310.805 4
Hi High (pH 8-9.5) 2.05 3.3 -19.28 2 5 0 61 309.797 4

Activity (Go SEA)

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