UCSF

ZINC35823480

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 21 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) 2.57 3.2 -49.21 5 4 1 77 285.367 4
Hi High (pH 8-9.5) 2.57 2.84 -9.62 4 4 0 75 284.359 4

Activity (Go SEA)

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