UCSF

ZINC35133252

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 12 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) -0.82 0.83 -11.06 2 4 0 65 167.212 5
Mid Mid (pH 6-8) -0.82 2.18 -55.25 3 4 1 69 168.22 5

Activity (Go SEA)

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