UCSF

ZINC00440937

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2004 24 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) 2.87 5.54 -48.4 1 6 -1 91 322.344 2
Lo Low (pH 4.5-6) 2.41 8.12 -10.16 2 6 0 88 323.352 2

Activity (Go SEA)

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