UCSF

ZINC42367497

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 17 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) 2.83 8.56 -109.2 3 2 2 21 305.235 7
Hi High (pH 8-9.5) 2.83 7.2 -33.5 2 2 1 16 304.227 7
Hi High (pH 8-9.5) 2.83 5.06 -2.26 1 2 0 15 303.219 7
Mid Mid (pH 6-8) 2.83 6.42 -37 2 2 1 20 304.227 7

Activity (Go SEA)

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