UCSF

ZINC05702684

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 22 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) 2.36 7.93 -9.93 1 5 0 64 313.382 4
Mid Mid (pH 6-8) 2.36 6.73 -42.42 0 5 -1 66 312.374 5
Lo Low (pH 4.5-6) 2.54 7.61 -16.72 1 5 0 67 313.382 4

Activity (Go SEA)

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