UCSF

ZINC21664306

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 31 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) 3.17 6.66 -50.95 4 7 1 95 445.609 7
Hi High (pH 8-9.5) 3.17 5.24 -16.13 3 7 0 91 444.601 7
Hi High (pH 8-9.5) 3.17 6.73 -66.12 3 7 0 97 444.601 7

Activity (Go SEA)

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