UCSF

ZINC36889726

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 16 No

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) 3.47 10.24 -14.44 0 2 0 34 238.352 7
Hi High (pH 8-9.5) 4.21 9.17 -51.53 0 2 -1 40 237.344 6

Activity (Go SEA)

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