UCSF

ZINC08845287

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 34 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) 3.00 6.04 -17.71 2 9 0 106 467.522 10
Mid Mid (pH 6-8) 3.00 6.81 -55.52 1 9 -1 109 466.514 10

Activity (Go SEA)

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