UCSF

ZINC36159026

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 26 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) 1.76 7.18 -51.56 3 6 1 80 378.518 8
Hi High (pH 8-9.5) 2.21 4.38 -49.24 2 6 0 83 377.51 8
Hi High (pH 8-9.5) 1.76 5.06 -13.7 2 6 0 78 377.51 8

Activity (Go SEA)

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