UCSF

ZINC37839182

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.27 4.88 -21.08 1 5 0 66 228.292 5
Hi High (pH 8-9.5) 1.02 3.76 -59.21 1 5 -1 72 227.284 4

Activity (Go SEA)

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