UCSF

ZINC05544145

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 30 No

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) 1.82 8.23 -56.03 2 7 1 84 408.478 9
Mid Mid (pH 6-8) 1.24 8.93 -65.34 1 7 1 81 408.478 9
Lo Low (pH 4.5-6) 1.82 8.51 -108.93 3 7 2 85 409.486 9
Lo Low (pH 4.5-6) 1.24 9.2 -123.81 2 7 2 82 409.486 9

Activity (Go SEA)

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