UCSF

ZINC36158616

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 24 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) 2.88 7.82 -47.13 3 5 1 70 350.508 6
Hi High (pH 8-9.5) 3.34 5.11 -47.45 2 5 0 74 349.5 6

Activity (Go SEA)

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