UCSF

ZINC70513636

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 20 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) 0.93 -1.05 -46.5 3 5 1 74 307.48 8
Lo Low (pH 4.5-6) 0.93 1.41 -119.77 4 5 2 75 308.488 8

Activity (Go SEA)

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