UCSF

ZINC36950331

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 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) -0.09 2.63 -97.11 4 3 2 41 174.288 5
Hi High (pH 8-9.5) -0.09 1.2 -32.54 3 3 1 37 173.28 5
Mid Mid (pH 6-8) -0.09 3.13 -38.18 3 3 1 44 173.28 5

Activity (Go SEA)

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