UCSF

ZINC34659275

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 19 No

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) 1.03 2.87 -45.83 5 6 1 98 331.19 5
Hi High (pH 8-9.5) 1.03 1.42 -20.78 4 6 0 93 330.182 5

Activity (Go SEA)

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