UCSF

ZINC40939671

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 30 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) 0.00 8.62 -113.94 3 9 -2 154 407.382 8
Lo Low (pH 4.5-6) 0.00 6.71 -59.22 4 9 -1 151 408.39 8

Activity (Go SEA)

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