UCSF

ZINC25173461

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 32 No

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) 2.81 10.78 -71.71 1 7 0 83 438.524 10
Hi High (pH 8-9.5) 2.81 8.45 -58.34 0 7 -1 82 437.516 10

Activity (Go SEA)

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