UCSF

ZINC37025335

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 12 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) 0.31 0.82 -40.16 3 4 1 63 174.22 4
Hi High (pH 8-9.5) 0.31 -0.34 -9.05 2 4 0 59 173.212 4

Activity (Go SEA)

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