UCSF

ZINC21748734

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 32 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) 1.72 3.41 -48.86 1 9 -1 118 454.484 7
Mid Mid (pH 6-8) 1.72 3.34 -17.85 2 9 0 116 455.492 7

Activity (Go SEA)

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