UCSF

ZINC06901222

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 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) 4.60 12.96 -39.37 2 5 0 75 388.467 7
Hi High (pH 8-9.5) 4.60 11.59 -54.95 1 5 -1 70 387.459 7

Activity (Go SEA)

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