UCSF

ZINC35619769

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 19 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) 1.73 3.96 -96.28 4 4 2 45 265.401 4
Hi High (pH 8-9.5) 1.73 3.82 -33.47 3 4 1 43 264.393 4
Hi High (pH 8-9.5) 1.73 1.6 -43.54 3 4 1 43 264.393 4
Hi High (pH 8-9.5) 1.73 2.24 -4.04 2 4 0 42 263.385 4

Activity (Go SEA)

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