UCSF

ZINC02571887

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 23 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) 2.42 8.98 -102.49 1 7 -2 119 321.329 11
Lo Low (pH 4.5-6) 2.42 7 -54.85 2 7 -1 116 322.337 11

Activity (Go SEA)

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