UCSF

ZINC31934805

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 21 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) 3.15 7.6 -54.12 3 4 1 62 306.455 3
Hi High (pH 8-9.5) 3.61 6.55 -41.39 2 4 0 65 305.447 3

Activity (Go SEA)

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