UCSF

ZINC33587419

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 38 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) 3.66 9.73 -61.98 0 8 -1 95 515.586 10
Mid Mid (pH 6-8) 3.66 12.06 -76.35 1 8 0 96 516.594 10
Lo Low (pH 4.5-6) 3.66 11.24 -51.75 2 8 1 94 517.602 10

Activity (Go SEA)

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