UCSF

ZINC35450698

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 32 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) 1.59 10.63 -21.62 1 8 0 99 429.48 7
Lo Low (pH 4.5-6) 1.59 11.09 -44.34 2 8 1 100 430.488 7

Activity (Go SEA)

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