UCSF

ZINC36300048

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 19 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) -1.16 -3.55 -61.36 3 8 0 123 288.329 3
Mid Mid (pH 6-8) -1.61 -1.63 -52.75 4 8 1 120 289.337 3

Activity (Go SEA)

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