UCSF

ZINC36771152

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) -0.05 4.69 -48.56 3 3 1 44 256.373 5
Hi High (pH 8-9.5) -0.05 4.05 -4.17 2 3 0 42 255.365 5
Lo Low (pH 4.5-6) -0.05 6.52 -124.28 4 3 2 45 257.381 5
Lo Low (pH 4.5-6) -0.05 5.16 -98.2 4 3 2 45 257.381 5

Activity (Go SEA)

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