UCSF

ZINC52185473

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 26 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) 3.50 10.53 -103.92 3 5 2 47 361.53 6
Hi High (pH 8-9.5) 3.50 8.35 -40.83 2 5 1 46 360.522 6

Activity (Go SEA)

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