UCSF

ZINC20188523

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 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) 3.11 7.13 -50.19 0 6 -1 78 362.409 4
Lo Low (pH 4.5-6) 2.65 8.9 -11.28 1 6 0 75 363.417 4

Activity (Go SEA)

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