UCSF

ZINC35753041

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 29 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) 3.98 6.79 -21.58 2 7 0 101 430.555 7
Hi High (pH 8-9.5) 4.16 5.57 -46.03 1 7 -1 107 429.547 7

Activity (Go SEA)

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