UCSF

ZINC29125469

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 21 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) 1.85 3.21 -12.18 3 4 0 67 299.761 1
Lo Low (pH 4.5-6) 1.85 4.07 -31.4 4 4 1 69 300.769 1

Activity (Go SEA)

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