UCSF

ZINC36331198

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 18 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) 2.57 4.63 -69.14 2 3 1 51 309.238 3
Hi High (pH 8-9.5) 2.57 3.44 -14.17 1 3 0 46 308.23 3

Activity (Go SEA)

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