UCSF

ZINC59534725

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 24 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) 0.01 -1.87 -45.64 5 6 1 89 349.536 19
Mid Mid (pH 6-8) 0.01 0.23 -127.99 6 6 2 90 350.544 19

Activity (Go SEA)

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