UCSF

ZINC40175102

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 19 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) 2.81 7.89 -86.59 3 3 2 34 257.381 1
Hi High (pH 8-9.5) 2.81 6.58 -23.6 2 3 1 29 256.373 1

Activity (Go SEA)

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