UCSF

ZINC41671750

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 21 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) 1.98 8.29 -66.98 2 6 0 88 307.737 5
Hi High (pH 8-9.5) 1.98 7.87 -62.52 1 6 -1 87 306.729 5

Activity (Go SEA)

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