UCSF

ZINC37812640

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 16 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) 0.25 4.07 -97.78 4 4 2 52 227.352 3
Hi High (pH 8-9.5) 0.25 1.61 -6.97 2 4 0 50 225.336 3
Mid Mid (pH 6-8) 0.25 1.95 -42.8 3 4 1 51 226.344 3

Activity (Go SEA)

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