UCSF

ZINC44683927

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 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) 2.98 6.55 -36.15 2 2 1 20 237.411 4
Lo Low (pH 4.5-6) 2.98 8.94 -108.26 3 2 2 21 238.419 4

Activity (Go SEA)

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