UCSF

ZINC45695213

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 16 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) 1.54 3.66 -43.64 3 4 1 55 231.36 8
Hi High (pH 8-9.5) 1.54 2.31 -8.55 2 4 0 50 230.352 8

Activity (Go SEA)

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