UCSF

ZINC27910762

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2009 21 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) -0.03 7.84 -69.66 3 6 0 99 293.367 6
Mid Mid (pH 6-8) -0.03 7.78 -60.33 2 6 -1 98 292.359 6

Activity (Go SEA)

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