UCSF

ZINC45615695

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 5.10 10.86 -9.8 2 5 0 60 422.428 7
Hi High (pH 8-9.5) 5.14 9.64 -35.32 1 5 -1 60 421.42 7

Activity (Go SEA)

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