UCSF

ZINC16701386

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 32 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) 4.47 7.47 -19.59 1 7 0 101 478.636 6
Hi High (pH 8-9.5) 4.47 7.55 -54.04 0 7 -1 103 477.628 6

Activity (Go SEA)

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