UCSF

ZINC40105066

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 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) 1.99 5.12 -10.21 1 8 0 102 364.464 10
Mid Mid (pH 6-8) 1.99 4.8 -45.63 0 8 -1 104 363.456 10

Activity (Go SEA)

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