UCSF

ZINC21812376

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 3.76 7.18 -37.39 2 3 1 29 283.48 6
Lo Low (pH 4.5-6) 3.76 9.04 -118.21 3 3 2 30 284.488 6

Activity (Go SEA)

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