UCSF

ZINC04381988

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2005 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) 2.72 8.23 -14.59 1 5 0 58 377.485 6
Mid Mid (pH 6-8) 2.72 8.69 -39.84 2 5 1 60 378.493 6

Activity (Go SEA)

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