UCSF

ZINC18085052

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2008 12 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) -0.59 -0.17 -21.96 5 6 0 103 165.156 0
Hi High (pH 8-9.5) -0.81 -0.51 -14.65 4 6 0 96 165.156 0
Mid Mid (pH 6-8) -0.81 -0.01 -37.18 5 6 1 98 166.164 0
Mid Mid (pH 6-8) -0.81 -1.13 -19.21 4 6 0 96 165.156 0

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.