UCSF

ZINC22794605

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 23 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) 0.00 3.87 -114.05 3 6 1 68 325.477 5
Hi High (pH 8-9.5) 0.00 3.99 -90.14 3 6 1 68 325.477 5
Mid Mid (pH 6-8) 0.00 7.13 -156.88 4 6 2 69 326.485 5
Lo Low (pH 4.5-6) 0.00 6.21 -162.67 4 6 2 69 326.485 5

Activity (Go SEA)

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