UCSF

ZINC03705477

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 14 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.99 4.94 -43.58 3 2 1 37 194.298 3
Hi High (pH 8-9.5) 0.99 4.61 -3.48 2 2 0 35 193.29 3

Activity (Go SEA)

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