UCSF

ZINC36877228

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) 1.94 5.2 -43.95 3 3 1 45 222.699 3
Hi High (pH 8-9.5) 1.94 3.79 -6.99 2 3 0 41 221.691 3
Hi High (pH 8-9.5) 1.94 3.77 -5.43 2 3 0 41 221.691 3

Activity (Go SEA)

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