UCSF

ZINC61866001

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2011 27 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) 3.48 10.8 -16.98 0 5 0 59 377.469 3
Lo Low (pH 4.5-6) 0.17 12.16 -32.62 1 5 1 58 378.477 4

Activity (Go SEA)

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