UCSF

ZINC35816473

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 29 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) 2.12 6.32 -25.54 2 7 0 94 396.422 7
Lo Low (pH 4.5-6) 2.12 7.7 -75.27 3 7 1 99 397.43 7

Activity (Go SEA)

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