UCSF

ZINC34823074

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2009 17 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) 1.75 7.29 -36.11 2 4 1 38 239.387 6
Hi High (pH 8-9.5) 1.75 6.05 -4.41 1 4 0 33 238.379 6

Activity (Go SEA)

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