UCSF

ZINC40290932

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2010 18 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) 2.99 6.93 -12.19 2 4 0 55 266.414 6
Lo Low (pH 4.5-6) 2.99 7.08 -31.33 3 4 1 56 267.422 6

Activity (Go SEA)

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