UCSF

ZINC44885989

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 15 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) 0.72 2.06 -51.03 4 3 1 51 213.276 5
Hi High (pH 8-9.5) 0.72 1.69 -6.12 3 3 0 49 212.268 5

Activity (Go SEA)

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