UCSF

ZINC45695805

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 18 No

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) 2.83 9.01 -39.25 1 3 1 25 253.341 7
Hi High (pH 8-9.5) 2.83 6.53 -8.82 0 3 0 24 252.333 7

Activity (Go SEA)

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