UCSF

ZINC37039248

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) -0.26 2.55 -101.28 4 6 2 73 294.465 7
Hi High (pH 8-9.5) -0.26 0.53 -48.96 3 6 1 71 293.457 7

Activity (Go SEA)

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