UCSF

ZINC36616466

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 31 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) 4.22 11.33 -16.58 1 6 0 73 407.477 3
Lo Low (pH 4.5-6) 4.22 11.71 -38.35 2 6 1 74 408.485 3

Activity (Go SEA)

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