UCSF

ZINC35602090

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 16 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) 1.76 3.78 -42.18 3 5 1 83 245.686 5
Hi High (pH 8-9.5) 1.76 2.53 -6.03 2 5 0 78 244.678 5

Activity (Go SEA)

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