UCSF

ZINC36617397

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 25 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) 2.47 5.25 -15.64 1 6 0 81 330.347 3
Hi High (pH 8-9.5) 2.54 3.15 -38.75 0 6 -1 87 329.339 3
Lo Low (pH 4.5-6) 2.47 5.71 -49.63 2 6 1 82 331.355 3

Activity (Go SEA)

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