UCSF

ZINC37644596

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 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) 1.32 6.45 -108.47 4 5 2 63 287.411 6
Hi High (pH 8-9.5) 1.32 3.91 -43.18 3 5 1 61 286.403 6
Mid Mid (pH 6-8) 1.32 5.06 -35.77 3 5 1 58 286.403 6

Activity (Go SEA)

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