UCSF

ZINC37825713

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 16 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) -1.45 -0.43 -54.89 3 5 1 82 245.324 3
Hi High (pH 8-9.5) -1.45 -0.76 -17.08 2 5 0 80 244.316 3

Activity (Go SEA)

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