UCSF

ZINC27988018

Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 2009 36 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) 3.84 9.52 -62.25 0 8 -1 97 496.58 12
Lo Low (pH 4.5-6) 3.84 8.7 -19.49 1 8 0 95 497.588 12

Activity (Go SEA)

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