UCSF

ZINC37004771

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 No

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) 2.27 6.7 -8.6 1 4 0 45 267.76 4
Mid Mid (pH 6-8) 2.27 7.03 -32.82 2 4 1 46 268.768 4

Activity (Go SEA)

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