UCSF

ZINC31337355

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2009 27 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) 3.70 8.84 -17.05 1 4 0 45 362.473 5
Mid Mid (pH 6-8) 3.70 11.23 -55.02 2 4 1 47 363.481 5

Activity (Go SEA)

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