UCSF

ZINC37144301

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 21 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) -0.22 6.47 -51.79 3 5 1 64 309.459 9
Hi High (pH 8-9.5) -0.22 4.15 -16.97 2 5 0 62 308.451 9

Activity (Go SEA)

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