UCSF

ZINC37249402

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 17 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) -1.94 4.92 -55.12 1 6 1 69 241.315 6
Hi High (pH 8-9.5) -1.94 2.73 -22.35 0 6 0 68 240.307 6

Activity (Go SEA)

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