UCSF

ZINC21748727

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 33 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) 1.60 2.68 -49.19 1 10 -1 127 468.467 6
Mid Mid (pH 6-8) 1.60 2.61 -19.74 2 10 0 125 469.475 6

Activity (Go SEA)

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