UCSF

ZINC33465443

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 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) 2.39 5.01 -44.42 3 3 1 46 236.335 7
Hi High (pH 8-9.5) 2.39 3.56 -6.17 2 3 0 41 235.327 7

Activity (Go SEA)

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