UCSF

ZINC36783340

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.84 8.43 -120.95 4 2 2 32 248.414 6
Hi High (pH 8-9.5) 2.84 8.29 -27.99 3 2 1 30 247.406 6
Hi High (pH 8-9.5) 2.84 6.52 -45.25 3 2 1 31 247.406 6

Activity (Go SEA)

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