UCSF

ZINC42442501

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) -1.53 -1.57 -101.13 5 5 2 71 208.302 9
Hi High (pH 8-9.5) -1.53 -3.22 -4.23 3 5 0 68 206.286 9
Hi High (pH 8-9.5) -1.53 -3.29 -44.5 4 5 1 70 207.294 9
Mid Mid (pH 6-8) -1.53 -1.04 -42.42 4 5 1 74 207.294 9

Activity (Go SEA)

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