UCSF

ZINC31934699

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 2.44 6.25 -53.92 3 4 1 62 278.401 3
Hi High (pH 8-9.5) 2.89 5.18 -45.13 2 4 0 65 277.393 3

Activity (Go SEA)

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