UCSF

ZINC66228430

Substance Information

In ZINC since Heavy atoms Benign functionality
August 21st, 2011 23 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) 3.82 5.61 -11.17 2 5 0 60 314.385 7
Lo Low (pH 4.5-6) 3.82 6.2 -45.26 3 5 1 64 315.393 7

Activity (Go SEA)

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