UCSF

ZINC45688649

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 18 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) 1.84 3.47 -36.51 4 5 1 65 253.37 7
Hi High (pH 8-9.5) 1.84 1.04 -4.9 3 5 0 63 252.362 7

Activity (Go SEA)

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