UCSF

ZINC56852093

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 21 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) 0.92 3.36 -10.57 1 6 0 67 289.335 4
Hi High (pH 8-9.5) 1.38 3.03 -43.99 1 6 0 72 289.335 4

Activity (Go SEA)

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