UCSF

ZINC42458858

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 13 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) -0.51 1.05 -96.71 4 4 2 51 192.303 8
Hi High (pH 8-9.5) -0.51 -0.87 -32.77 2 4 0 52 190.287 8
Hi High (pH 8-9.5) -0.51 -1.42 -37.64 3 4 1 49 191.295 8
Mid Mid (pH 6-8) -0.51 1.59 -42.5 3 4 1 53 191.295 8

Activity (Go SEA)

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