UCSF

ZINC34992020

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 15 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) 3.25 5.57 -3.85 1 1 0 12 217.234 4
Mid Mid (pH 6-8) 3.25 6.93 -44.59 2 1 1 17 218.242 4

Activity (Go SEA)

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