UCSF

ZINC20600998

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 30 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) 1.16 7.82 -25.07 1 7 0 76 408.481 7
Lo Low (pH 4.5-6) 1.16 8.27 -59.53 2 7 1 77 409.489 7

Activity (Go SEA)

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