UCSF

ZINC21633823

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 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) 2.73 6.08 -69.7 2 8 1 97 436.485 7
Mid Mid (pH 6-8) 2.73 6.97 -22.78 1 8 0 96 435.477 7

Activity (Go SEA)

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