UCSF

ZINC42205373

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 15 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) 1.41 2.34 -39.31 3 4 1 55 217.333 8
Hi High (pH 8-9.5) 1.41 1.25 -7.32 2 4 0 50 216.325 8

Activity (Go SEA)

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