UCSF

ZINC20721626

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 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) 2.30 6.95 -13.48 1 7 0 80 398.422 3
Ref Reference (pH 7) 2.11 9.43 -11.83 1 7 0 76 398.422 3

Activity (Go SEA)

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