UCSF

ZINC35179371

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 20 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) 0.28 4.99 -39.31 2 7 1 73 284.384 6
Hi High (pH 8-9.5) 0.28 2.97 -5.66 1 7 0 72 283.376 6

Activity (Go SEA)

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