UCSF

ZINC00053664

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 No

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) 2.70 0.78 -13.33 0 5 0 67 216.196 3
Lo Low (pH 4.5-6) 2.70 1.38 -33.59 1 5 1 69 217.204 3

Activity (Go SEA)

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