UCSF

ZINC37292717

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 21 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) 1.78 7.13 -37.65 2 5 1 56 293.387 5
Hi High (pH 8-9.5) 1.78 4.87 -5.76 1 5 0 55 292.379 5
Lo Low (pH 4.5-6) 1.78 8.27 -118.93 3 5 2 60 294.395 5

Activity (Go SEA)

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