UCSF

ZINC41362476

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 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) 2.04 6.57 -40.26 2 4 1 37 290.431 6
Hi High (pH 8-9.5) 2.04 6.45 -43.06 2 4 1 37 290.431 6
Hi High (pH 8-9.5) 2.04 4.19 -9.4 1 4 0 36 289.423 6

Activity (Go SEA)

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