UCSF

ZINC37744610

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2009 18 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) -0.54 -2.83 -12.74 2 7 0 87 274.346 6
Mid Mid (pH 6-8) -0.54 -0.55 -49.01 3 7 1 89 275.354 6

Activity (Go SEA)

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