UCSF

ZINC12745124

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2008 29 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) 4.67 9.06 -44.07 0 7 -1 87 432.957 6
Lo Low (pH 4.5-6) 4.21 10.49 -14.19 1 7 0 84 433.965 6

Activity (Go SEA)

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