UCSF

ZINC36145955

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 19 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) 1.85 5.15 -41.09 2 4 1 46 267.324 5
Hi High (pH 8-9.5) 1.85 2.75 -10.98 1 4 0 45 266.316 5

Activity (Go SEA)

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