UCSF

ZINC44722038

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 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) 1.86 6.05 -107.94 4 4 2 51 292.423 6
Hi High (pH 8-9.5) 1.86 2.46 -4.95 2 4 0 45 290.407 6
Mid Mid (pH 6-8) 1.86 4.86 -32.76 3 4 1 46 291.415 6
Lo Low (pH 4.5-6) 1.86 3.64 -39.04 3 4 1 49 291.415 6

Activity (Go SEA)

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