UCSF

ZINC36780963

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 17 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) 2.58 2.3 -46.46 4 4 1 66 257.741 6
Hi High (pH 8-9.5) 2.58 1.67 -46.19 2 4 -1 64 255.725 6
Hi High (pH 8-9.5) 2.58 0.91 -10.79 3 4 0 61 256.733 6
Hi High (pH 8-9.5) 2.58 3.05 -36.87 3 4 0 69 256.733 6

Activity (Go SEA)

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