UCSF

ZINC20465611

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 26 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) 3.88 7.25 -19.1 1 5 0 68 370.474 6
Hi High (pH 8-9.5) 3.88 6.27 -47.98 0 5 -1 70 369.466 6

Activity (Go SEA)

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