UCSF

ZINC36876648

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 21 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) 3.23 7.42 -39.67 3 3 1 45 296.316 3
Hi High (pH 8-9.5) 3.23 6.03 -9.02 2 3 0 41 295.308 3
Lo Low (pH 4.5-6) 3.23 7.91 -114.69 4 3 2 47 297.324 3

Activity (Go SEA)

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