UCSF

ZINC37840851

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 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) 0.38 1.08 -18.04 1 6 0 94 255.299 4
Hi High (pH 8-9.5) 0.83 -0.93 -49.04 0 6 -1 97 254.291 4

Activity (Go SEA)

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