UCSF

ZINC42461735

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 2.20 4.63 -95.99 4 3 2 35 255.45 3
Hi High (pH 8-9.5) 2.20 2.51 -41.9 3 3 1 34 254.442 3

Activity (Go SEA)

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