UCSF

ZINC37825289

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 1.22 7.05 -59.51 3 5 1 74 291.371 5
Hi High (pH 8-9.5) 1.22 6.65 -14.03 2 5 0 73 290.363 5

Activity (Go SEA)

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