UCSF

ZINC44261103

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 20 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) 0.52 1.91 -45.25 1 6 0 89 298.343 3
Hi High (pH 8-9.5) 0.52 -0.5 -36.56 0 6 -1 88 297.335 3
Mid Mid (pH 6-8) 0.52 -0.68 -10.18 1 6 0 86 298.343 3
Mid Mid (pH 6-8) 0.52 1.72 -51.21 2 6 1 87 299.351 3

Activity (Go SEA)

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