UCSF

ZINC40430782

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 27 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) 3.21 5.28 -5.26 3 4 0 54 378.577 1
Mid Mid (pH 6-8) 3.21 5.25 -4.43 2 4 0 53 377.569 1

Activity (Go SEA)

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