UCSF

ZINC36132927

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 14 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) -0.51 2.21 -50.58 1 5 -1 81 202.23 6
Lo Low (pH 4.5-6) -0.51 0.23 -10.54 2 5 0 78 203.238 6

Activity (Go SEA)

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