UCSF

ZINC19919600

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) 1.69 3.8 -40.75 2 4 1 38 257.398 6
Hi High (pH 8-9.5) 1.69 4.96 -33.62 2 4 1 35 257.398 6
Hi High (pH 8-9.5) 1.69 2.88 -3.11 1 4 0 34 256.39 6
Mid Mid (pH 6-8) 1.69 6.12 -116.01 3 4 2 40 258.406 6

Activity (Go SEA)

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