UCSF

ZINC36272303

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.14 10.31 -40.48 3 4 1 48 362.284 3
Mid Mid (pH 6-8) 4.14 8.03 -9.46 2 4 0 47 361.276 3
Lo Low (pH 4.5-6) 4.14 10.6 -86.32 4 4 2 49 363.292 3

Activity (Go SEA)

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