UCSF

ZINC25538923

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 31 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) 2.90 5.16 -21.49 3 7 0 103 463.363 7
Hi High (pH 8-9.5) 2.97 4.11 -52.29 2 7 -1 109 462.355 7

Activity (Go SEA)

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