UCSF

ZINC42948426

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 21 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) 4.05 7.19 -46.77 3 3 1 46 306.813 6
Hi High (pH 8-9.5) 4.05 7.06 -4.65 2 3 0 44 305.805 6

Activity (Go SEA)

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