UCSF

ZINC42776451

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 20 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) 4.58 8.06 -9.13 0 2 0 20 328.161 7
Lo Low (pH 4.5-6) 4.58 9.93 -48.62 1 2 1 22 329.169 7

Activity (Go SEA)

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