UCSF

ZINC42164553

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) -1.34 -0.94 -67.53 5 7 0 131 243.263 5
Hi High (pH 8-9.5) -1.34 -1.27 -56.54 4 7 -1 130 242.255 5

Activity (Go SEA)

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