UCSF

ZINC36613996

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 34 Yes

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) 3.58 8.61 -12.8 0 7 0 72 456.546 5
Mid Mid (pH 6-8) 3.58 10.48 -63.42 1 7 1 73 457.554 5

Activity (Go SEA)

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