UCSF

ZINC19840993

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 18 No

Download: MOL2 SDF SMILES Flexibase

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) 2.31 9.53 -51.47 2 3 1 20 264.418 3
Hi High (pH 8-9.5) 2.99 9.13 -51.1 1 3 0 20 263.41 2

Activity (Go SEA)

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