UCSF

ZINC33763497

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 33 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) 0.68 3.69 -58.44 1 9 -1 115 452.487 8
Mid Mid (pH 6-8) 0.68 6 -72.17 2 9 0 116 453.495 8
Lo Low (pH 4.5-6) 0.68 4.71 -61.74 3 9 1 114 454.503 8

Activity (Go SEA)

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