UCSF

ZINC36273953

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 26 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) 1.87 6.54 -45.37 2 5 1 50 362.379 4
Hi High (pH 8-9.5) 1.87 5.19 -8.14 1 5 0 45 361.371 4
Lo Low (pH 4.5-6) 1.87 7 -99.03 3 5 2 51 363.387 4

Activity (Go SEA)

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