UCSF

ZINC08971762

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 20 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) 0.16 -1.63 -42.1 1 7 -1 104 275.24 2
Hi High (pH 8-9.5) 0.16 -0.8 -100 0 7 -2 107 274.232 2
Mid Mid (pH 6-8) -0.30 0.81 -10.47 2 7 0 101 276.248 2
Mid Mid (pH 6-8) 0.16 -1.72 -42.75 1 7 -1 104 275.24 2

Activity (Go SEA)

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