UCSF

ZINC36983653

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 19 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) 2.55 5.74 -46.77 1 5 -1 86 284.357 8
Hi High (pH 8-9.5) 2.55 5.9 -101.88 0 5 -2 88 283.349 8

Activity (Go SEA)

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