UCSF

ZINC35862396

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 34 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) 6.69 15 -40.65 2 6 1 64 458.561 7
Hi High (pH 8-9.5) 6.69 12.48 -10.68 1 6 0 63 457.553 7

Activity (Go SEA)

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