UCSF

ZINC35632771

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 19 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) 1.19 2.56 -50.93 2 5 1 63 285.389 4
Hi High (pH 8-9.5) 1.19 1.38 -8.51 1 5 0 59 284.381 4

Activity (Go SEA)

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