UCSF

ZINC06797320

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 29 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) 2.52 8.01 -21.5 1 8 0 87 392.415 6
Lo Low (pH 4.5-6) 2.52 8.19 -49.47 2 8 1 88 393.423 6

Activity (Go SEA)

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