UCSF

ZINC35204939

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 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) -0.73 -5.11 -42.53 2 6 -1 98 196.186 3
Lo Low (pH 4.5-6) -1.19 -3.27 -9.07 3 6 0 95 197.194 3

Activity (Go SEA)

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