UCSF

ZINC10188170

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 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) 5.12 2.01 -18.63 0 5 0 55 425.96 9
Lo Low (pH 4.5-6) 5.12 2.17 -59.81 1 5 1 56 426.968 9

Activity (Go SEA)

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