UCSF

ZINC36386735

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2009 31 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) 1.83 5.36 -68.58 4 9 1 117 437.609 15
Mid Mid (pH 6-8) 1.83 4.06 -27.37 3 9 0 112 436.601 15

Activity (Go SEA)

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