UCSF

ZINC36272979

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 27 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) 3.63 7.43 -28.93 3 6 1 66 363.441 7
Mid Mid (pH 6-8) 3.63 8.12 -11.38 2 6 0 65 362.433 7
Lo Low (pH 4.5-6) 3.63 9.2 -95.32 4 6 2 67 364.449 7

Activity (Go SEA)

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