UCSF

ZINC36633944

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 26 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) 2.10 8.03 -12.27 0 5 0 44 353.397 3
Mid Mid (pH 6-8) 2.10 10.18 -54.38 1 5 1 45 354.405 3

Activity (Go SEA)

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