UCSF

ZINC20650884

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 33 Yes

Download: MOL2 SDF SMILES Flexibase

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) 4.17 8.85 -51.95 1 6 1 56 461.46 5
Mid Mid (pH 6-8) 4.17 5.93 -8.51 0 6 0 55 460.452 5
Lo Low (pH 4.5-6) 4.17 8.27 -49.26 1 6 1 56 461.46 5

Activity (Go SEA)

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