UCSF

ZINC19901170

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 18 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) 3.63 7.12 -35.9 2 2 1 20 314.291 7
Hi High (pH 8-9.5) 3.63 5.6 -2.33 1 2 0 15 313.283 7
Mid Mid (pH 6-8) 3.63 7.71 -30.79 2 2 1 16 314.291 7
Mid Mid (pH 6-8) 3.63 9.03 -104.66 3 2 2 21 315.299 7

Activity (Go SEA)

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