UCSF

ZINC36639382

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 24 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) 0.64 0.3 -47.99 5 8 1 128 366.448 5
Hi High (pH 8-9.5) 0.64 -0.76 -19.34 4 8 0 127 365.44 5
Hi High (pH 8-9.5) 0.82 -1.42 -37.54 4 8 0 134 365.44 5
Hi High (pH 8-9.5) 0.82 -2.53 -54.53 3 8 -1 133 364.432 5

Activity (Go SEA)

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