UCSF

ZINC20570714

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 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) 2.71 2.04 -25.05 4 8 0 135 445.522 6
Hi High (pH 8-9.5) 2.71 2.11 -57.79 3 8 -1 138 444.514 6

Activity (Go SEA)

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