UCSF

ZINC20433367

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 15 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) 0.90 4.7 -55.8 1 4 0 48 214.309 6
Hi High (pH 8-9.5) 0.90 2.31 -45.62 0 4 -1 47 213.301 6

Activity (Go SEA)

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