UCSF

ZINC13140289

Substance Information

In ZINC since Heavy atoms Benign functionality
May 30th, 2008 34 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) 4.52 11.75 -55.17 2 6 1 65 456.566 8
Hi High (pH 8-9.5) 4.52 9.86 -15.19 1 6 0 64 455.558 8

Activity (Go SEA)

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