UCSF

ZINC42868745

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) -0.68 -2.41 -39.04 5 6 1 104 243.312 5
Hi High (pH 8-9.5) -0.68 -2.75 -11.7 4 6 0 102 242.304 5

Activity (Go SEA)

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