UCSF

ZINC36871336

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 15 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) -0.19 2.29 -93.13 5 4 2 61 213.325 3
Hi High (pH 8-9.5) 0.00 0.66 -63.9 4 4 1 67 212.317 3
Hi High (pH 8-9.5) -0.19 1.95 -37.3 4 4 1 60 212.317 3
Hi High (pH 8-9.5) 0.00 0.22 -47.16 3 4 0 66 211.309 3

Activity (Go SEA)

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