UCSF

ZINC36879552

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 0.10 3.43 -46.33 3 4 1 49 265.377 5
Hi High (pH 8-9.5) 0.10 2.63 -4.65 2 4 0 48 264.369 5
Lo Low (pH 4.5-6) 0.10 5.23 -135.5 4 4 2 51 266.385 5

Activity (Go SEA)

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