UCSF

ZINC20973519

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 28 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) 3.54 8.09 -18.85 1 8 0 95 412.5 6
Hi High (pH 8-9.5) 3.73 7.02 -43.02 0 8 -1 101 411.492 6

Activity (Go SEA)

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