UCSF

ZINC36136976

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 14 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) -0.54 3.64 -21.47 1 5 0 66 200.238 5
Hi High (pH 8-9.5) -0.53 2.65 -58.18 1 5 -1 72 199.23 5

Activity (Go SEA)

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