UCSF

ZINC36135189

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 16 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) 0.63 4.93 -45.01 3 3 1 48 219.308 4
Hi High (pH 8-9.5) 0.63 4.62 -6.62 2 3 0 46 218.3 4

Activity (Go SEA)

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