UCSF

ZINC36950768

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) -0.20 -0.34 -39.08 4 6 1 86 244.315 5
Hi High (pH 8-9.5) -0.20 -1.51 -8.23 3 6 0 82 243.307 5

Activity (Go SEA)

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