UCSF

ZINC21848647

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 30 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) 2.64 5.58 -30.11 1 7 0 86 440.55 4
Mid Mid (pH 6-8) 2.64 7.4 -84.71 2 7 1 88 441.558 4

Activity (Go SEA)

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