UCSF

ZINC12419359

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2008 36 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) 3.60 8.3 -98.59 0 9 -2 134 488.427 7
Ref Reference (pH 7) 3.60 8.19 -98.31 0 9 -2 134 488.427 7
Lo Low (pH 4.5-6) 3.14 10.85 -59.36 1 9 -1 131 489.435 7

Activity (Go SEA)

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