UCSF

ZINC35577487

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 20 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) 5.42 9.73 -41.33 2 2 1 26 355.321 7
Hi High (pH 8-9.5) 5.42 8.62 -4.01 1 2 0 21 354.313 7

Activity (Go SEA)

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