UCSF

ZINC36777277

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 19 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) 2.21 6.63 -123.15 4 3 2 45 265.445 8
Hi High (pH 8-9.5) 2.21 4.68 -48.91 3 3 1 44 264.437 8
Hi High (pH 8-9.5) 2.21 6.92 -27.79 3 3 1 43 264.437 8
Mid Mid (pH 6-8) 2.21 5.3 -102.75 4 3 2 45 265.445 8

Activity (Go SEA)

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