UCSF

ZINC40175314

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 18 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) 2.37 7.47 -87.93 3 3 2 34 243.354 1
Hi High (pH 8-9.5) 2.37 5.99 -28.01 2 3 1 29 242.346 1

Activity (Go SEA)

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