UCSF

ZINC24870968

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 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) 2.75 9.19 -17.97 1 7 0 65 422.529 5
Mid Mid (pH 6-8) 2.75 11.46 -60.29 2 7 1 66 423.537 5

Activity (Go SEA)

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