UCSF

ZINC08738324

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 35 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) 4.79 12.49 -59.35 0 8 -1 113 493.561 8
Mid Mid (pH 6-8) 4.21 2.15 -13.47 0 8 0 106 494.569 8
Lo Low (pH 4.5-6) 4.79 11.67 -16.2 1 8 0 110 494.569 8

Activity (Go SEA)

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