UCSF

ZINC13427164

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 34 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) 2.86 9.68 -57.83 1 8 0 93 468.55 10
Hi High (pH 8-9.5) 2.86 7.16 -45.28 0 8 -1 91 467.542 10

Activity (Go SEA)

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