UCSF

ZINC45665925

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 21 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) 2.43 5.25 -111.59 4 4 2 45 360.34 9
Hi High (pH 8-9.5) 2.43 2.79 -43.44 3 4 1 43 359.332 9

Activity (Go SEA)

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