UCSF

ZINC44516183

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 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) 2.61 8.11 -106.07 3 4 2 40 312.841 4
Hi High (pH 8-9.5) 2.61 6.88 -36.53 2 4 1 35 311.833 4

Activity (Go SEA)

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