UCSF

ZINC53780652

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2010 14 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) 2.50 7.18 -9.46 0 2 0 30 191.274 6
Lo Low (pH 4.5-6) 2.50 7.65 -34.22 1 2 1 31 192.282 6

Activity (Go SEA)

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