UCSF

ZINC44721712

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) 2.30 6.06 -114.33 4 4 2 51 312.841 7
Hi High (pH 8-9.5) 2.30 2.52 -5 2 4 0 45 310.825 7
Mid Mid (pH 6-8) 2.30 4.86 -35.16 3 4 1 46 311.833 7
Lo Low (pH 4.5-6) 2.30 3.72 -45.1 3 4 1 49 311.833 7

Activity (Go SEA)

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