UCSF

ZINC45702047

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 19 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) -0.18 2.81 -46.84 3 6 1 82 278.369 13
Hi High (pH 8-9.5) -0.18 1.47 -9.09 2 6 0 77 277.361 13

Activity (Go SEA)

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