UCSF

ZINC34478450

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 12 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) 0.45 0.61 -46.61 2 3 -1 60 202.28 1
Lo Low (pH 4.5-6) 0.45 0.08 -10.66 2 3 0 60 203.288 1

Activity (Go SEA)

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