UCSF

ZINC36194478

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 19 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) -1.36 -0.48 -8.32 4 5 0 79 261.325 2
Mid Mid (pH 6-8) -1.36 0.15 -41.35 5 5 1 80 262.333 2
Mid Mid (pH 6-8) -1.36 -0.17 -45.7 5 5 1 80 262.333 2

Activity (Go SEA)

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