UCSF

ZINC10188129

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2007 33 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) 4.52 2.92 -21.15 0 5 0 55 443.522 8
Lo Low (pH 4.5-6) 4.52 2.94 -49.77 1 5 1 56 444.53 8

Activity (Go SEA)

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