UCSF

ZINC39696734

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 31 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) 1.20 4.66 -51.66 3 7 1 78 494.454 4
Mid Mid (pH 6-8) 1.20 7.08 -107.26 4 7 2 80 495.462 4

Activity (Go SEA)

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