UCSF

ZINC36877349

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 21 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) 1.71 6.89 -47.99 4 3 1 56 298.332 5
Hi High (pH 8-9.5) 1.71 6.59 -6.81 3 3 0 55 297.324 5
Lo Low (pH 4.5-6) 1.71 6.99 -125.33 5 3 2 58 299.34 5

Activity (Go SEA)

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