UCSF

ZINC37006310

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 No

Download: MOL2 SDF SMILES Flexibase

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) 2.12 5.87 -7.94 1 4 0 45 300.2 4
Mid Mid (pH 6-8) 2.12 6.43 -31.35 2 4 1 46 301.208 4

Activity (Go SEA)

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