UCSF

ZINC53131642

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 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) 2.27 6.79 -38.88 2 2 1 29 203.309 5
Hi High (pH 8-9.5) 2.27 5.55 -6.04 1 2 0 25 202.301 5

Activity (Go SEA)

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