UCSF

ZINC48105406

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2010 26 Yes

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) 1.79 6.15 -15.34 1 7 0 66 370.482 3
Mid Mid (pH 6-8) 1.79 8.36 -57.16 2 7 1 67 371.49 3

Activity (Go SEA)

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