UCSF

ZINC41681696

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 18 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) -0.11 1.97 -66.14 3 6 1 73 279.43 7
Hi High (pH 8-9.5) -0.12 -1.36 -8.67 2 6 0 65 278.422 7
Mid Mid (pH 6-8) -0.11 1.82 -97.32 4 6 2 70 280.438 7
Mid Mid (pH 6-8) -0.11 0.76 -38.43 3 6 1 66 279.43 7
Mid Mid (pH 6-8) -0.11 0.7 -31.48 2 6 0 68 278.422 7

Activity (Go SEA)

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