UCSF

ZINC36677629

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 14 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) 0.42 1.61 -107.61 5 3 2 52 202.342 5
Hi High (pH 8-9.5) 0.42 -0.29 -42.74 4 3 1 51 201.334 5
Hi High (pH 8-9.5) 0.42 1.23 -31.38 4 3 1 51 201.334 5

Activity (Go SEA)

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