UCSF

ZINC42902514

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 19 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) 3.75 8 -108.57 4 2 2 32 264.457 8
Hi High (pH 8-9.5) 3.75 7.66 -29.12 3 2 1 30 263.449 8
Hi High (pH 8-9.5) 3.75 6.48 -38.52 3 2 1 31 263.449 8

Activity (Go SEA)

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