UCSF

ZINC13801613

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 31 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) 2.60 6.35 -96.26 0 9 -2 134 507.68 6
Ref Reference (pH 7) 2.60 6.24 -95.44 0 9 -2 134 507.68 6
Lo Low (pH 4.5-6) 2.14 8.89 -57.85 1 9 -1 131 508.688 6

Activity (Go SEA)

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