UCSF

ZINC33811315

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 29 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) 2.35 6.92 -19.37 1 6 0 79 407.495 4
Mid Mid (pH 6-8) 2.35 7.38 -43.19 2 6 1 81 408.503 4

Activity (Go SEA)

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