UCSF

ZINC36226508

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 15 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) 3.06 5.32 -6.5 3 3 0 51 199.257 2
Mid Mid (pH 6-8) 3.06 5.49 -24.37 4 3 1 52 200.265 2

Activity (Go SEA)

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