UCSF

ZINC19831154

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 28 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) 1.24 6.07 -41.66 3 6 1 66 381.5 8
Mid Mid (pH 6-8) 1.24 6.04 -44.24 3 6 1 66 381.5 8
Mid Mid (pH 6-8) 1.24 3.68 -7.52 2 6 0 65 380.492 8

Activity (Go SEA)

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