UCSF

ZINC20993036

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.91 7.99 -17.28 2 6 0 80 356.385 5
Mid Mid (pH 6-8) 3.91 8.09 -32.4 3 6 1 81 357.393 5

Activity (Go SEA)

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