UCSF

ZINC36786819

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 2.61 7.11 -126.31 4 3 2 41 266.429 7
Hi High (pH 8-9.5) 2.61 6.61 -29.9 3 3 1 40 265.421 7
Mid Mid (pH 6-8) 2.61 5.47 -48.34 3 3 1 40 265.421 7

Activity (Go SEA)

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