UCSF

ZINC37786702

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 2.99 7.1 -35.64 2 5 1 44 295.451 8
Hi High (pH 8-9.5) 2.99 4.94 -4.93 1 5 0 42 294.443 8

Activity (Go SEA)

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