UCSF

ZINC35386471

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 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) 0.64 4.02 -50.19 3 5 0 86 216.281 8
Hi High (pH 8-9.5) 0.64 2.67 -46.88 2 5 -1 81 215.273 8

Activity (Go SEA)

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