UCSF

ZINC36170464

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) -0.29 1.54 -14.03 2 6 0 67 251.334 3
Mid Mid (pH 6-8) -0.29 3.68 -49.05 3 6 1 69 252.342 3

Activity (Go SEA)

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