UCSF

ZINC35766159

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 11 No

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) 1.90 3.99 -4.88 0 2 0 27 152.241 3
Lo Low (pH 4.5-6) 1.90 6.1 -40.53 1 2 1 28 153.249 3

Activity (Go SEA)

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