UCSF

ZINC10188186

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2007 31 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) 4.80 -0.11 -12.25 1 5 0 63 431.923 7
Lo Low (pH 4.5-6) 4.80 0.09 -52.99 2 5 1 65 432.931 7

Activity (Go SEA)

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