UCSF

ZINC36874218

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 2.80 7.67 -49.25 3 3 1 45 297.209 2
Lo Low (pH 4.5-6) 2.80 7.86 -99.18 4 3 2 47 298.217 2
Lo Low (pH 4.5-6) 2.80 7.86 -98.74 4 3 2 47 298.217 2

Activity (Go SEA)

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