UCSF

ZINC03676766

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) 3.03 4.98 -4.81 3 3 0 55 299.115 1
Mid Mid (pH 6-8) 3.03 4.93 -6.4 3 3 0 55 299.115 1

Activity (Go SEA)

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