UCSF

ZINC03194114

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 26 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) 6.78 10.74 -6.69 1 3 0 46 393.98 6
Mid Mid (pH 6-8) 6.78 11.19 -43.73 0 3 -1 48 392.972 6

Activity (Go SEA)

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