UCSF

ZINC39869960

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 28 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.40 8.09 -123.69 3 8 -2 148 395.396 5
Mid Mid (pH 6-8) 3.40 7.68 -199.93 2 8 -3 150 394.388 5

Activity (Go SEA)

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