UCSF

ZINC36134039

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) 1.11 2.8 -9.52 1 4 0 44 282.771 4
Lo Low (pH 4.5-6) 1.11 5.09 -43.45 2 4 1 45 283.779 4

Activity (Go SEA)

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