UCSF

ZINC35809204

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 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) 4.00 12.04 -21.11 1 7 0 83 493.073 10
Hi High (pH 8-9.5) 3.82 10.71 -58.51 0 7 -1 89 492.065 10

Activity (Go SEA)

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