UCSF

ZINC49546748

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 29 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) 2.13 5.29 -17.63 3 7 0 103 398.369 5
Ref Reference (pH 7) 1.95 7.96 -17.94 3 7 0 99 398.369 5

Activity (Go SEA)

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