UCSF

ZINC35282429

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 17 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) 2.13 8.26 -58.44 0 4 -1 60 242.339 6
Lo Low (pH 4.5-6) 2.13 6.43 -12.91 1 4 0 58 243.347 6

Activity (Go SEA)

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