UCSF

ZINC38200441

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2010 30 Yes

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) 3.39 9.01 -17.36 1 8 0 82 408.506 3
Lo Low (pH 4.5-6) 3.39 11.45 -95.5 3 8 2 84 410.522 3

Activity (Go SEA)

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