UCSF

ZINC36794463

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 17 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) 1.35 4.62 -48.35 3 4 1 53 236.339 3
Hi High (pH 8-9.5) 1.35 4.45 -4.76 2 4 0 51 235.331 3
Mid Mid (pH 6-8) 1.35 4.9 -103.66 4 4 2 54 237.347 3

Activity (Go SEA)

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