UCSF

ZINC40490716

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 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) -1.19 3.07 -61.54 4 5 0 97 230.308 6
Hi High (pH 8-9.5) -1.19 2.59 -53.25 3 5 -1 95 229.3 6

Activity (Go SEA)

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