UCSF

ZINC36852965

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 14 No

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) 0.29 3.56 -49.65 2 4 1 54 197.258 2
Hi High (pH 8-9.5) 0.29 2.18 -7.62 1 4 0 49 196.25 2
Mid Mid (pH 6-8) 0.29 2.16 -6.21 1 4 0 49 196.25 2

Activity (Go SEA)

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