UCSF

ZINC41584194

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 36 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 6.81 14.69 -42.32 2 6 1 69 491.652 11
Mid Mid (pH 6-8) 6.81 15.27 -29.35 1 6 0 72 490.644 11

Activity (Go SEA)

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