UCSF

ZINC44726703

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 14 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) -0.86 1.92 -91.16 5 4 2 61 199.298 3
Hi High (pH 8-9.5) -0.86 1.58 -39.26 4 4 1 60 198.29 3
Hi High (pH 8-9.5) -0.67 -0.74 -38.72 3 4 0 66 197.282 3
Hi High (pH 8-9.5) -0.67 -0.42 -47.36 4 4 1 67 198.29 3

Activity (Go SEA)

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