UCSF

ZINC36776856

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 15 No

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) -0.41 6.08 -18.51 0 4 0 50 206.245 4
Hi High (pH 8-9.5) 0.33 4.94 -52.74 0 4 -1 56 205.237 3
Lo Low (pH 4.5-6) -0.41 6.53 -44.13 1 4 1 52 207.253 4

Activity (Go SEA)

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