UCSF

ZINC60181801

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2011 39 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -1.84 -0.03 -82.15 9 13 0 220 538.561 13
Mid Mid (pH 6-8) -1.84 -0.32 -58.23 8 13 -1 219 537.553 13

Activity (Go SEA)

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