UCSF

ZINC37093009

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 1.95 7.41 -58.73 1 5 0 62 263.341 4
Hi High (pH 8-9.5) 1.95 7.28 -54.72 0 5 -1 61 262.333 4

Activity (Go SEA)

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