UCSF

ZINC08951527

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2007 32 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) 1.37 -1.88 -53.61 2 8 1 93 438.504 8
Mid Mid (pH 6-8) 0.79 -2.03 -62.87 1 8 1 90 438.504 8
Lo Low (pH 4.5-6) 1.37 -1.76 -115.29 3 8 2 94 439.512 8
Lo Low (pH 4.5-6) 0.79 -1.92 -130.3 2 8 2 91 439.512 8

Activity (Go SEA)

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