UCSF

ZINC45688413

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 16 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) 2.63 5.64 -34.09 4 3 1 42 222.356 6
Hi High (pH 8-9.5) 2.63 3.42 -2.74 3 3 0 41 221.348 6

Activity (Go SEA)

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