UCSF

ZINC43437868

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 21 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) -0.26 5.88 -37.01 2 8 0 103 301.343 6
Mid Mid (pH 6-8) -0.26 4.27 -45.63 1 8 -1 102 300.335 6

Activity (Go SEA)

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