UCSF

ZINC58314435

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 25 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) 2.06 8.73 -18.16 0 5 0 46 343.402 5
Lo Low (pH 4.5-6) 2.06 9.15 -37.8 1 5 1 47 344.41 5

Activity (Go SEA)

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