UCSF

ZINC34958972

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 11 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) -0.69 -3.02 -9.27 2 5 0 73 180.229 1
Mid Mid (pH 6-8) -0.69 -2.53 -39.02 1 5 -1 70 179.221 1

Activity (Go SEA)

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