UCSF

ZINC03941049

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2005 36 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) 5.04 15.97 -49.27 2 4 1 46 498.716 8
Lo Low (pH 4.5-6) 5.04 16.43 -88.91 3 4 2 48 499.724 8

Activity (Go SEA)

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