UCSF

ZINC20899122

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 35 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) 3.20 7.91 -11.84 3 9 0 123 497.573 6
Hi High (pH 8-9.5) 3.72 6.41 -43.18 2 9 -1 129 496.565 7

Activity (Go SEA)

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