UCSF

ZINC16954397

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 17 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) 1.53 6.51 -21.49 1 4 0 59 231.251 4
Lo Low (pH 4.5-6) 2.83 4.85 -30.25 2 4 1 61 232.259 4

Activity (Go SEA)

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