UCSF

ZINC58172832

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2011 22 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) 3.15 7.86 -33.06 2 4 1 50 298.41 2
Hi High (pH 8-9.5) 3.15 5.66 -15.7 1 4 0 48 297.402 2
Lo Low (pH 4.5-6) 3.15 8.82 -88.57 3 4 2 51 299.418 2

Activity (Go SEA)

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