UCSF

ZINC37160650

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 20 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) 2.18 6.31 -52.23 3 6 1 92 280.348 7
Mid Mid (pH 6-8) 2.18 5.16 -16.13 2 6 0 87 279.34 7

Activity (Go SEA)

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