UCSF

ZINC49579442

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 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) 1.93 9.46 -44.98 1 2 1 28 235.376 7
Hi High (pH 8-9.5) 1.93 7.14 -7.32 0 2 0 27 234.368 7

Activity (Go SEA)

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