UCSF

ZINC34918789

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 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) 3.10 7.42 -58.22 0 8 -1 91 479.553 10
Mid Mid (pH 6-8) 3.10 9.68 -70.83 1 8 0 93 480.561 10
Lo Low (pH 4.5-6) 3.10 8.93 -52.65 2 8 1 90 481.569 10

Activity (Go SEA)

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