UCSF

ZINC39870266

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 24 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 6.24 10.87 -13.92 1 3 0 42 377.296 3
Mid Mid (pH 6-8) 6.24 10.21 -44.79 0 3 -1 44 376.288 3

Activity (Go SEA)

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