UCSF

ZINC02225571

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2004 21 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) 0.97 -0.1 -18.55 1 8 0 107 323.359 5
Hi High (pH 8-9.5) 1.16 -1.32 -43.64 0 8 -1 113 322.351 5

Activity (Go SEA)

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