UCSF

ZINC31961726

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 23 Yes

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) 0.70 7.08 -77.19 2 7 0 90 320.393 6
Mid Mid (pH 6-8) 0.70 7.35 -111.35 3 7 1 91 321.401 6
Lo Low (pH 4.5-6) 0.70 6.23 -93.65 4 7 2 88 322.409 6

Activity (Go SEA)

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