UCSF

ZINC36204178

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 12 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) 1.07 1.72 -42.18 4 3 1 57 173.28 6
Hi High (pH 8-9.5) 1.07 1.39 -7.28 3 3 0 55 172.272 6

Activity (Go SEA)

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