UCSF

ZINC52214245

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 20 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) 1.88 3.55 -57.5 4 4 1 74 334.248 3
Hi High (pH 8-9.5) 1.88 3.14 -7.96 3 4 0 72 333.24 3

Activity (Go SEA)

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