UCSF

ZINC19506550

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 16 Yes

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) 1.18 1.58 -50.72 4 4 1 66 227.328 3
Hi High (pH 8-9.5) 1.18 1.38 -8.38 3 4 0 64 226.32 3

Activity (Go SEA)

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