UCSF

ZINC15723019

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 32 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) 3.24 7.18 -102.49 0 9 -2 138 430.372 5
Lo Low (pH 4.5-6) 2.78 9.92 -57.61 1 9 -1 134 431.38 5

Activity (Go SEA)

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