UCSF

ZINC36134879

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 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) 0.85 8.81 -41.76 3 3 1 48 283.395 5
Hi High (pH 8-9.5) 0.85 8.45 -8.92 2 3 0 46 282.387 5

Activity (Go SEA)

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