UCSF

ZINC36873371

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 15 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) 0.23 1.82 -40.37 4 4 1 68 215.317 4
Hi High (pH 8-9.5) 0.23 1.47 -6.62 3 4 0 67 214.309 4

Activity (Go SEA)

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