UCSF

ZINC44647385

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 16 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) -1.23 3.39 -43.59 2 5 1 57 228.316 4
Hi High (pH 8-9.5) -1.23 2.02 -16.16 1 5 0 53 227.308 4

Activity (Go SEA)

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