UCSF

ZINC36777246

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) 0.24 4.15 -108.82 4 4 2 48 264.417 5
Hi High (pH 8-9.5) 0.24 3.79 -35.67 3 4 1 47 263.409 5
Hi High (pH 8-9.5) 0.24 3.49 -30.02 3 4 1 47 263.409 5
Mid Mid (pH 6-8) 0.24 4.22 -177.5 5 4 3 49 265.425 5
Mid Mid (pH 6-8) 0.24 1.91 -43.41 3 4 1 47 263.409 5

Activity (Go SEA)

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