UCSF

ZINC37829349

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 2.99 9.67 -59.75 0 4 -1 60 270.393 8
Lo Low (pH 4.5-6) 2.99 7.3 -5.39 1 4 0 58 271.401 8

Activity (Go SEA)

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