UCSF

ZINC58218115

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2011 28 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) 2.12 9.95 -11.94 0 6 0 62 377.423 3
Lo Low (pH 4.5-6) 2.12 10.29 -38.83 1 6 1 63 378.431 3

Activity (Go SEA)

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