UCSF

ZINC24987052

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 35 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) 3.39 10.19 -44.08 4 7 1 91 493.031 6
Hi High (pH 8-9.5) 3.39 9.72 -14.57 3 7 0 90 492.023 6
Lo Low (pH 4.5-6) 3.39 10.9 -54.68 4 7 1 95 493.031 6

Activity (Go SEA)

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