UCSF

ZINC04835295

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2006 22 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) 3.57 10.31 -10.23 0 3 0 33 330.478 3
Lo Low (pH 4.5-6) 3.57 10.58 -35.08 1 3 1 34 331.486 3

Activity (Go SEA)

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