UCSF

ZINC35411304

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 16 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 5.31 -42.41 3 2 1 41 255.794 2
Hi High (pH 8-9.5) 1.93 5.01 -4.3 2 2 0 39 254.786 2

Activity (Go SEA)

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