UCSF

ZINC00038174

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 24 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) 3.39 9.67 -15.16 0 6 0 65 319.368 4
Mid Mid (pH 6-8) 3.39 10.65 -30.67 2 6 1 70 320.376 4

Activity (Go SEA)

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