UCSF

ZINC04312123

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2005 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) 3.94 8.31 -10.09 2 6 0 110 423.52 4
Mid Mid (pH 6-8) 4.02 2.79 -98.41 3 6 2 110 425.536 4
Lo Low (pH 4.5-6) 3.94 8.52 -45.31 3 6 1 111 424.528 4

Activity (Go SEA)

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