UCSF

ZINC33735791

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 29 No

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) 4.42 8.39 -13.71 2 7 0 109 459.296 8
Hi High (pH 8-9.5) 4.42 9.31 -49.22 1 7 -1 111 458.288 8
Hi High (pH 8-9.5) 4.60 7.88 -101.83 0 7 -2 118 457.28 8

Activity (Go SEA)

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