UCSF

ZINC31934152

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 15 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) 1.07 5.91 -20.38 2 3 0 44 219.313 3
Mid Mid (pH 6-8) 1.07 6.31 -35.31 3 3 1 45 220.321 3

Activity (Go SEA)

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