UCSF

ZINC13881095

Substance Information

In ZINC since Heavy atoms Benign functionality
June 27th, 2008 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) 7.08 13.52 -11.83 1 5 0 64 458.583 7
Mid Mid (pH 6-8) 6.59 13.47 -47.44 0 5 -1 63 457.575 8

Activity (Go SEA)

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