UCSF

ZINC36613111

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 25 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) 1.43 7.51 -117.54 1 7 -2 122 444.284 6
Hi High (pH 8-9.5) 1.43 8.38 -165.51 0 7 -3 125 443.276 6

Activity (Go SEA)

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