UCSF

ZINC37837773

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 0.27 5.75 -77.29 1 6 0 82 290.385 7
Mid Mid (pH 6-8) 0.27 3.54 -51.03 0 6 -1 81 289.377 7

Activity (Go SEA)

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