UCSF

ZINC37826982

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 16 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) -0.09 1.97 -42.15 3 4 1 51 226.344 3
Hi High (pH 8-9.5) -0.09 1.74 -6.86 2 4 0 50 225.336 3
Mid Mid (pH 6-8) -0.09 4.18 -97.72 4 4 2 52 227.352 3

Activity (Go SEA)

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