UCSF

ZINC45697280

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 17 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) 2.24 7 -37.43 1 4 1 34 245.387 10
Hi High (pH 8-9.5) 2.24 6.73 -36.48 1 4 1 34 245.387 10
Hi High (pH 8-9.5) 2.24 4.54 -3.9 0 4 0 33 244.379 10
Lo Low (pH 4.5-6) 2.24 9.18 -108.31 2 4 2 35 246.395 10

Activity (Go SEA)

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