UCSF

ZINC23947774

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2009 28 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) 4.00 9.69 -18.66 1 6 0 70 398.484 7
Hi High (pH 8-9.5) 4.18 8.63 -45.66 0 6 -1 76 397.476 7

Activity (Go SEA)

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