UCSF

ZINC38001938

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 20 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) 4.04 10.55 -112.55 3 2 2 21 355.345 6
Hi High (pH 8-9.5) 4.04 7.52 -2.02 1 2 0 15 353.329 6
Mid Mid (pH 6-8) 4.04 9.5 -36.52 2 2 1 16 354.337 6

Activity (Go SEA)

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