UCSF

ZINC45135300

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2010 12 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) 1.18 4.44 -28.69 2 2 1 16 169.292 2
Lo Low (pH 4.5-6) 1.18 3.35 -36.88 2 2 1 20 169.292 2
Lo Low (pH 4.5-6) 1.18 5.65 -102.85 3 2 2 21 170.3 2

Activity (Go SEA)

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