UCSF

ZINC31785489

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2009 32 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) 3.85 11.26 -19.1 0 6 0 58 475.351 4
Mid Mid (pH 6-8) 3.85 13.59 -53.87 1 6 1 60 476.359 4

Activity (Go SEA)

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