UCSF

ZINC05342038

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2006 27 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.14 4.56 -12.4 3 6 0 89 383.835 4
Ref Reference (pH 7) 3.14 4.52 -9.61 3 6 0 89 383.835 4
Hi High (pH 8-9.5) 3.12 4.92 -43.8 1 6 -1 88 382.827 4
Hi High (pH 8-9.5) 3.12 4.49 -53.11 1 6 -1 88 382.827 4
Hi High (pH 8-9.5) 3.14 5.27 -39.05 2 6 -1 92 382.827 4
Mid Mid (pH 6-8) 3.14 5.29 -47.6 2 6 -1 92 382.827 4

Activity (Go SEA)

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