UCSF

ZINC37997497

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 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) 3.57 10.21 -99.16 3 3 2 30 292.467 8
Hi High (pH 8-9.5) 3.57 8.29 -35.7 2 3 1 29 291.459 8

Activity (Go SEA)

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