UCSF

ZINC03912489

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 14 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) -0.93 -0.28 -7.94 4 8 0 130 199.17 4
Lo Low (pH 4.5-6) -0.93 -0.05 -37.7 5 8 1 131 200.178 4
Lo Low (pH 4.5-6) -0.93 -4.19 -37.64 5 8 1 131 200.178 4

Activity (Go SEA)

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