UCSF

ZINC14255723

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 17 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) 4.12 5.66 -43.28 0 3 -1 48 254.375 6
Mid Mid (pH 6-8) 4.12 5.49 -9.29 1 3 0 46 255.383 6

Activity (Go SEA)

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