UCSF

ZINC35723621

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 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) 5.95 12.66 -15.59 2 6 0 84 491.016 8
Hi High (pH 8-9.5) 6.14 10.78 -43.82 1 6 -1 90 490.008 8

Activity (Go SEA)

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