UCSF

ZINC52851198

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 23 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) 3.22 10.62 -13.53 0 4 0 33 312.413 7
Lo Low (pH 4.5-6) 3.22 11.4 -27.47 1 4 0 34 313.421 7

Activity (Go SEA)

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