UCSF

ZINC27270703

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2009 22 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) 1.85 5.43 -20.23 2 6 0 92 299.33 6
Mid Mid (pH 6-8) 1.85 7.52 -56.89 3 6 1 93 300.338 6

Activity (Go SEA)

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