UCSF

ZINC21828010

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 27 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) 4.46 11.65 -24.35 1 7 0 97 383.429 7
Hi High (pH 8-9.5) 4.64 10.57 -42.41 0 7 -1 103 382.421 7

Activity (Go SEA)

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