UCSF

ZINC36877830

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 19 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) 0.85 5.19 -46.68 4 4 1 66 260.361 5
Hi High (pH 8-9.5) 0.85 4.91 -8.96 3 4 0 64 259.353 5
Lo Low (pH 4.5-6) 0.85 5.29 -118.25 5 4 2 67 261.369 5

Activity (Go SEA)

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