UCSF

ZINC42122439

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 22 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) 1.50 3.26 -10.78 1 6 0 62 311.426 9
Mid Mid (pH 6-8) 1.50 5.54 -42.65 2 6 1 63 312.434 9

Activity (Go SEA)

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