UCSF

ZINC37038808

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 0.78 7.03 -111.41 4 4 2 52 295.402 4
Hi High (pH 8-9.5) 0.78 6.65 -41.32 3 4 1 51 294.394 4
Mid Mid (pH 6-8) 0.78 5.49 -47.92 3 4 1 51 294.394 4

Activity (Go SEA)

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