UCSF

ZINC35325719

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 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) 1.03 6.27 -48.38 2 6 1 58 264.353 2
Mid Mid (pH 6-8) 1.03 4.9 -7.5 1 6 0 54 263.345 2

Activity (Go SEA)

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