UCSF

ZINC52507188

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 18 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) 3.06 5.74 -32.71 2 3 1 29 257.442 7
Hi High (pH 8-9.5) 3.06 5.44 -1.64 1 3 0 24 256.434 7

Activity (Go SEA)

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