UCSF

ZINC02330800

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 20 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) 3.23 5.17 -9.41 0 5 0 61 332.157 3
Lo Low (pH 4.5-6) 3.23 5.63 -43.97 1 5 1 62 333.165 3

Activity (Go SEA)

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