UCSF

ZINC19943427

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 18 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) 3.31 8.42 -60.77 2 1 1 17 252.259 4
Hi High (pH 8-9.5) 3.31 7.01 -6.78 1 1 0 12 251.251 4

Activity (Go SEA)

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