UCSF

ZINC31945553

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 20 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) 2.33 9.89 -45.33 3 2 1 30 285.436 7
Hi High (pH 8-9.5) 2.33 7.67 -10.67 2 2 0 29 284.428 7

Activity (Go SEA)

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