UCSF

ZINC35023446

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 16 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) 0.91 5.21 -34.4 1 4 1 38 223.296 3
Hi High (pH 8-9.5) 0.91 2.73 -7.59 0 4 0 37 222.288 3

Activity (Go SEA)

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