UCSF

ZINC71920933

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2012 17 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) 0.16 0.64 -32.11 3 4 1 48 243.371 6
Mid Mid (pH 6-8) 0.16 2.76 -93.97 4 4 2 49 244.379 6

Activity (Go SEA)

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