UCSF

ZINC18209268

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 23 No

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) 3.75 10.09 -7.87 1 4 0 54 388.29 4
Ref Reference (pH 7) 3.75 10.12 -8.28 1 4 0 54 388.29 4
Hi High (pH 8-9.5) 4.28 9.01 -41.8 0 4 -1 56 387.282 5
Lo Low (pH 4.5-6) 4.28 10.23 -36 2 4 1 55 389.298 5

Activity (Go SEA)

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