UCSF

ZINC57860266

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2011 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) 2.99 6.69 -46.57 3 3 1 48 281.807 4
Hi High (pH 8-9.5) 2.99 4.38 -7.81 2 3 0 46 280.799 4

Activity (Go SEA)

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