UCSF

ZINC35186253

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 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) 1.93 3.08 -42.47 2 5 1 63 306.839 6
Hi High (pH 8-9.5) 1.93 3.28 -48.77 1 5 0 66 305.831 6

Activity (Go SEA)

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