UCSF

ZINC61804173

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2011 14 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) 2.10 6.91 -32.52 1 3 1 31 200.302 3
Mid Mid (pH 6-8) 2.10 4.32 -3.35 0 3 0 30 199.294 3

Activity (Go SEA)

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