UCSF

ZINC03312911

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 24 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) 2.70 6.04 -45.26 0 5 -1 69 363.846 4
Mid Mid (pH 6-8) 2.70 5.94 -13.14 1 5 0 66 364.854 4

Activity (Go SEA)

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