UCSF

ZINC45303031

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2010 36 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) 6.61 17.7 -44.21 1 5 1 49 517.074 7
Hi High (pH 8-9.5) 6.61 15.2 -14.98 0 5 0 47 516.066 7

Activity (Go SEA)

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