UCSF

ZINC16531758

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2008 37 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) 5.23 15.3 -12.07 0 6 0 47 495.623 6
Mid Mid (pH 6-8) 5.23 15.18 -42.42 1 6 1 48 496.631 6

Activity (Go SEA)

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