UCSF

ZINC20739423

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 34 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) 4.61 14.91 -10.04 0 8 0 90 460.534 4
Mid Mid (pH 6-8) 4.61 14.89 -37.97 1 8 1 91 461.542 4
Mid Mid (pH 6-8) 4.61 14.89 -38 1 8 1 91 461.542 4
Mid Mid (pH 6-8) 4.61 15.37 -42.8 1 8 1 91 461.542 4

Activity (Go SEA)

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