UCSF

ZINC37017826

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 16 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) 1.00 3.48 -39.92 3 4 1 59 241.336 3
Mid Mid (pH 6-8) 1.00 2.11 -6.31 2 4 0 54 240.328 3

Activity (Go SEA)

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