UCSF

ZINC41684216

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 16 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) 2.13 5.54 -39.33 2 4 1 42 243.762 6
Hi High (pH 8-9.5) 2.13 3.11 -4.03 1 4 0 41 242.754 6

Activity (Go SEA)

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