UCSF

ZINC22625813

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 19 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) 1.50 1.09 -15.34 2 5 0 70 265.309 3
Mid Mid (pH 6-8) 1.50 2.12 -53.73 1 5 -1 73 264.301 3

Activity (Go SEA)

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