UCSF

ZINC41588502

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) 2.93 5.15 -11.68 0 9 0 83 496.56 7
Mid Mid (pH 6-8) 2.93 7.42 -51.75 1 9 1 84 497.568 7
Lo Low (pH 4.5-6) 2.93 8.01 -56.01 1 9 1 84 497.568 7

Activity (Go SEA)

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