UCSF

ZINC37266026

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 13 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) -1.86 -2.94 -44.82 4 4 1 60 189.279 4
Hi High (pH 8-9.5) -1.86 -3.32 -4.5 3 4 0 59 188.271 4
Hi High (pH 8-9.5) -1.86 -0.11 -47.2 4 4 1 64 189.279 4
Mid Mid (pH 6-8) -1.86 -1.03 -36.01 4 4 1 60 189.279 4

Activity (Go SEA)

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