UCSF

ZINC20391841

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 15 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) 0.98 3.33 -67.37 3 5 1 71 238.321 2
Hi High (pH 8-9.5) 0.98 2.93 -13.12 2 5 0 69 237.313 2

Activity (Go SEA)

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