UCSF

ZINC36877324

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 15 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) 2.07 5.3 -43.99 3 3 1 45 267.15 3
Hi High (pH 8-9.5) 2.07 3.89 -6.98 2 3 0 41 266.142 3
Hi High (pH 8-9.5) 2.07 3.87 -5.37 2 3 0 41 266.142 3

Activity (Go SEA)

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