UCSF

ZINC22129866

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 11 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) 2.03 -0.81 -8.89 2 3 0 58 172.567 1
Mid Mid (pH 6-8) 2.03 -0.04 -38.43 1 3 -1 60 171.559 1

Activity (Go SEA)

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