UCSF

ZINC10066071

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2007 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) 4.47 11.95 -53.03 1 6 1 56 436.557 7
Hi High (pH 8-9.5) 4.47 9.45 -12.13 0 6 0 55 435.549 7

Activity (Go SEA)

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