UCSF

ZINC20615239

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 36 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) 5.17 7.2 -32 3 9 1 121 508.576 8
Hi High (pH 8-9.5) 5.17 7.43 -27.08 2 9 0 123 507.568 8

Activity (Go SEA)

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