UCSF

ZINC20391020

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 3.27 3.76 -8.44 1 3 0 39 216.236 3
Hi High (pH 8-9.5) 3.27 4.54 -42.17 0 3 -1 42 215.228 3

Activity (Go SEA)

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