UCSF

ZINC36280982

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 20 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) 2.73 4.34 -53.59 4 4 1 66 291.758 4
Hi High (pH 8-9.5) 2.73 5.11 -67.16 3 4 0 69 290.75 4

Activity (Go SEA)

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