UCSF

ZINC37782509

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 1.40 8.32 -49.43 2 5 1 54 287.387 5
Hi High (pH 8-9.5) 1.40 7.22 -13.11 1 5 0 50 286.379 5
Mid Mid (pH 6-8) 1.40 7.66 -33.69 2 5 1 51 287.387 5
Mid Mid (pH 6-8) 1.40 8.76 -102.27 3 5 2 55 288.395 5

Activity (Go SEA)

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