UCSF

ZINC03705579

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) 0.58 2.63 -43.97 3 3 1 46 261.139 3
Hi High (pH 8-9.5) 0.58 2.36 -4.81 2 3 0 44 260.131 3

Activity (Go SEA)

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