UCSF

ZINC41756629

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 15 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) -0.40 5.38 -41.69 1 4 -1 76 203.221 3
Lo Low (pH 4.5-6) -0.40 3.54 -7.93 2 4 0 73 204.229 3

Activity (Go SEA)

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