UCSF

ZINC22938127

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 15 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) -1.34 0.64 -165.7 7 4 3 63 217.381 6
Hi High (pH 8-9.5) -1.34 1.96 -107.09 6 4 2 61 216.373 6
Hi High (pH 8-9.5) -1.34 0.25 -86.36 6 4 2 61 216.373 6
Hi High (pH 8-9.5) -1.34 -0.13 -32.14 5 4 1 60 215.365 6
Hi High (pH 8-9.5) -1.34 -1.82 -42.48 5 4 1 60 215.365 6
Mid Mid (pH 6-8) -1.34 2.34 -192.22 7 4 3 63 217.381 6
Mid Mid (pH 6-8) -1.34 -1.71 -94.43 6 4 2 62 216.373 6

Activity (Go SEA)

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