UCSF

ZINC20431164

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 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) 3.21 8.09 -59.9 3 3 1 48 281.379 3
Hi High (pH 8-9.5) 3.21 7.83 -7.59 2 3 0 46 280.371 3

Activity (Go SEA)

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