UCSF

ZINC33767772

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 37 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) 3.26 8.69 -58.6 0 9 -1 112 503.531 9
Mid Mid (pH 6-8) 3.26 11.04 -72.86 1 9 0 114 504.539 9
Lo Low (pH 4.5-6) 3.26 10.22 -52.07 2 9 1 111 505.547 9

Activity (Go SEA)

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