UCSF

ZINC41588085

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 32 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) 4.01 7.24 -9.02 0 6 0 55 434.536 5
Mid Mid (pH 6-8) 4.01 9.52 -48.07 1 6 1 56 435.544 5
Lo Low (pH 4.5-6) 4.01 10.12 -51.51 1 6 1 56 435.544 5

Activity (Go SEA)

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