UCSF

ZINC04798549

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2006 26 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) 1.91 9.05 -46.86 2 5 1 59 361.437 8
Hi High (pH 8-9.5) 1.91 7.72 -11.68 1 5 0 55 360.429 8

Activity (Go SEA)

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