UCSF

ZINC35223161

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 21 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 3.18 -56.91 2 5 1 69 379.296 5
Mid Mid (pH 6-8) 1.85 2.01 -14.07 1 5 0 65 378.288 5

Activity (Go SEA)

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