UCSF

ZINC42774326

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 2.31 3.46 -9.62 1 3 0 41 261.243 6
Hi High (pH 8-9.5) 2.31 4.23 -44.52 0 3 -1 43 260.235 6
Lo Low (pH 4.5-6) 2.31 5.04 -47.03 2 3 1 42 262.251 6

Activity (Go SEA)

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