UCSF

ZINC09640953

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2007 30 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) 4.30 11.27 -15.57 1 6 0 81 436.562 5
Hi High (pH 8-9.5) 4.75 8.84 -48.9 0 6 -1 84 435.554 5

Activity (Go SEA)

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