UCSF

ZINC50664371

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2010 25 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) 0.24 4.52 -14.84 4 7 0 108 333.351 3
Lo Low (pH 4.5-6) 0.24 5.11 -27.8 5 7 1 109 334.359 3

Activity (Go SEA)

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