UCSF

ZINC37049982

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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) -1.93 1.37 -93.78 5 5 2 73 245.367 6
Hi High (pH 8-9.5) -1.93 -0.86 -47.29 4 5 1 71 244.359 6

Activity (Go SEA)

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