UCSF

ZINC42685156

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 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) 0.08 2.33 -38.75 2 6 1 63 244.315 6
Mid Mid (pH 6-8) 0.08 0.12 -10.14 1 6 0 62 243.307 6
Lo Low (pH 4.5-6) 0.08 2.32 -38.68 2 6 1 63 244.315 6

Activity (Go SEA)

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