UCSF

ZINC21809418

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 2.78 3.32 -11.3 3 5 0 68 332.231 3
Lo Low (pH 4.5-6) 2.78 5.27 -46.03 4 5 1 69 333.239 3

Activity (Go SEA)

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