UCSF

ZINC37862788

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 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) 0.12 3.23 -103.78 4 4 2 54 214.309 7
Mid Mid (pH 6-8) 0.12 0.75 -42.05 3 4 1 53 213.301 7

Activity (Go SEA)

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