UCSF

ZINC35250829

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 14 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) -1.05 -3.7 -6.94 4 7 0 111 200.198 3
Mid Mid (pH 6-8) -0.60 -5.34 -37.6 3 7 -1 114 199.19 3

Activity (Go SEA)

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