UCSF

ZINC36891514

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 20 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) 3.55 9.08 -51.45 1 4 -1 76 265.292 4
Lo Low (pH 4.5-6) 3.55 7.07 -9.43 2 4 0 73 266.3 4

Activity (Go SEA)

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