UCSF

ZINC13127497

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 23 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) 2.94 11.15 -8.86 1 5 0 52 306.369 3
Hi High (pH 8-9.5) 3.12 11.66 -28.31 2 5 1 57 307.377 3
Lo Low (pH 4.5-6) 2.94 11.66 -31.56 2 5 1 53 307.377 3

Activity (Go SEA)

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