UCSF

ZINC53127150

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 17 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) -0.15 -3.97 -38.06 7 6 1 120 244.315 5
Mid Mid (pH 6-8) -0.15 -4.32 -10.13 6 6 0 118 243.307 5

Activity (Go SEA)

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