UCSF

ZINC28843994

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2009 30 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) 1.70 5.01 -14.54 1 8 0 81 409.49 6
Lo Low (pH 4.5-6) 1.70 7.18 -60.78 2 8 1 82 410.498 6

Activity (Go SEA)

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