UCSF

ZINC43993923

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 2.14 8.18 -96.9 3 3 2 36 237.391 4
Hi High (pH 8-9.5) 2.14 7.71 -43.06 2 3 1 34 236.383 4

Activity (Go SEA)

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