UCSF

ZINC05163081

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 11 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) -2.08 1.32 -36.27 4 6 1 92 152.137 0
Mid Mid (pH 6-8) -0.01 1.9 -35.49 2 6 -1 93 150.121 0
Mid Mid (pH 6-8) -2.08 2.37 -18.66 3 6 0 95 151.129 0
Lo Low (pH 4.5-6) -0.01 1.24 -51.97 4 6 1 91 152.137 0

Activity (Go SEA)

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