UCSF

ZINC01514173

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 22 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 5.95 9.19 -8.57 1 3 0 45 349.242 2
Hi High (pH 8-9.5) 6.41 7.38 -43.32 0 3 -1 48 348.234 2
Mid Mid (pH 6-8) 5.46 9.48 -10.24 1 3 0 42 349.242 3

Activity (Go SEA)

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