UCSF

ZINC43446528

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 17 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) 3.62 8.49 -39.08 2 3 1 43 242.383 7
Hi High (pH 8-9.5) 3.62 7.33 -4.2 1 3 0 38 241.375 7

Activity (Go SEA)

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