UCSF

ZINC24900648

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 22 No

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) 1.65 5.32 -12.35 0 6 0 53 301.346 4
Mid Mid (pH 6-8) 1.65 7.53 -52.32 1 6 1 54 302.354 4

Activity (Go SEA)

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