UCSF

ZINC37122875

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 18 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) 3.43 6.63 -37.96 3 2 1 37 262.398 4
Hi High (pH 8-9.5) 3.43 7.38 -31.32 2 2 0 40 261.39 4

Activity (Go SEA)

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