UCSF

ZINC37873019

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 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) 1.17 2.63 -95.46 4 3 2 41 190.331 6
Hi High (pH 8-9.5) 1.17 0.09 -34.58 3 3 1 40 189.323 6
Mid Mid (pH 6-8) 1.17 3.18 -38.58 3 3 1 44 189.323 6

Activity (Go SEA)

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