UCSF

ZINC36170460

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) 1.04 5.41 -41.72 3 4 1 51 266.34 2
Mid Mid (pH 6-8) 1.04 3.04 -7.21 2 4 0 50 265.332 2

Activity (Go SEA)

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