UCSF

ZINC55060980

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 27 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) 4.28 9.5 -39.66 2 3 1 28 389.922 4
Hi High (pH 8-9.5) 4.28 7.04 -5.59 1 3 0 27 388.914 4
Hi High (pH 8-9.5) 4.28 10.27 -52.69 1 3 0 31 388.914 4
Mid Mid (pH 6-8) 4.28 9.14 -39.25 2 3 1 28 389.922 4

Activity (Go SEA)

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