UCSF

ZINC37001738

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 16 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) 0.10 3.07 -43.6 3 4 1 46 242.368 2
Mid Mid (pH 6-8) 0.10 4.28 -93.78 4 4 2 50 243.376 2

Activity (Go SEA)

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