UCSF

ZINC00408951

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 23 Yes

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) 1.57 5.94 -40.04 0 7 -1 93 329.361 4
Mid Mid (pH 6-8) 2.06 7.21 -23.91 1 7 0 90 330.369 4
Mid Mid (pH 6-8) 2.06 7.66 -48.71 2 7 1 91 331.377 4

Activity (Go SEA)

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