UCSF

ZINC42465021

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 2.49 8.29 -36.02 1 3 1 31 268.402 5
Mid Mid (pH 6-8) 2.49 5.96 -8.46 0 3 0 30 267.394 5

Activity (Go SEA)

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