UCSF

ZINC36238084

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 30 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) 2.42 9.73 -56.85 2 6 1 57 404.538 3
Hi High (pH 8-9.5) 2.42 9.87 -16.2 1 6 0 53 403.53 3
Mid Mid (pH 6-8) 2.42 10.3 -84.79 3 6 2 59 405.546 3

Activity (Go SEA)

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