UCSF

ZINC21784048

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 28 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) 2.71 4.29 -17.16 4 7 0 115 395.44 4
Hi High (pH 8-9.5) 3.16 3.18 -45.93 3 7 -1 118 394.432 4

Activity (Go SEA)

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