UCSF

ZINC41534744

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 32 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) 2.70 7.06 -57.46 1 7 -1 89 501.401 6
Mid Mid (pH 6-8) 2.70 9.33 -71.72 2 7 0 90 502.409 6
Lo Low (pH 4.5-6) 2.70 8.56 -55.95 3 7 1 87 503.417 6

Activity (Go SEA)

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