UCSF

ZINC31554017

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 13 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -4.51 -4.19 -63.34 5 7 -1 148 212.118 5
Hi High (pH 8-9.5) -4.51 -2.8 -193.43 3 7 -3 150 210.102 5
Mid Mid (pH 6-8) -4.51 -2.55 -139.58 4 7 -2 151 211.11 5

Activity (Go SEA)

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