UCSF

ZINC49551369

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 24 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) 2.16 6.68 -18.1 2 5 0 79 322.364 3
Hi High (pH 8-9.5) 2.62 5.99 -54.19 1 5 -1 82 321.356 3

Activity (Go SEA)

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