UCSF

ZINC49737835

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.31 5.28 -39.71 2 5 1 54 374.596 8
Hi High (pH 8-9.5) 3.31 2.91 -8.89 1 5 0 53 373.588 8
Mid Mid (pH 6-8) 3.31 5.14 -40.21 2 5 1 54 374.596 8

Activity (Go SEA)

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