UCSF

ZINC36873949

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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 5.16 -51.07 4 3 1 56 216.308 4
Hi High (pH 8-9.5) 0.63 4.85 -7.45 3 3 0 55 215.3 4
Lo Low (pH 4.5-6) 0.63 5.54 -117.93 5 3 2 58 217.316 4

Activity (Go SEA)

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