UCSF

ZINC45284402

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 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) 2.97 12.35 -10.57 1 7 0 77 351.41 4
Hi High (pH 8-9.5) 3.43 9.61 -56.01 0 7 -1 80 350.402 4

Activity (Go SEA)

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