UCSF

ZINC42367102

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 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) 0.69 2.9 -50.71 4 5 1 73 237.327 6
Hi High (pH 8-9.5) 0.69 2.5 -12.22 3 5 0 71 236.319 6
Mid Mid (pH 6-8) 0.69 3.24 -103.69 5 5 2 74 238.335 6

Activity (Go SEA)

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