UCSF

ZINC31913981

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 25 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) 4.93 9.49 -11.18 1 4 0 47 336.435 6
Mid Mid (pH 6-8) 4.93 9.91 -28.07 2 4 1 48 337.443 6

Activity (Go SEA)

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