UCSF

ZINC38003580

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 21 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) 1.40 5.31 -54.75 3 5 1 72 305.276 8
Hi High (pH 8-9.5) 1.40 3.95 -8.83 2 5 0 67 304.268 8

Activity (Go SEA)

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