UCSF

ZINC20155528

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 19 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) 0.94 2.44 -14.54 3 6 0 86 279.321 4
Hi High (pH 8-9.5) 1.01 1.51 -41.64 2 6 -1 93 278.313 4

Activity (Go SEA)

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