UCSF

ZINC29116219

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 33 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) 4.34 12.37 -52.61 3 5 1 63 440.567 6
Hi High (pH 8-9.5) 4.34 10.16 -18.99 2 5 0 61 439.559 6

Activity (Go SEA)

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