UCSF

ZINC37786342

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) 3.38 7.38 -31.32 2 2 1 16 267.462 4
Lo Low (pH 4.5-6) 3.38 8.59 -104.08 3 2 2 21 268.47 4

Activity (Go SEA)

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