UCSF

ZINC02972417

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 26 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) 5.34 -1.53 -17.13 1 4 0 54 379.872 3
Lo Low (pH 4.5-6) 5.34 -1.45 -37.94 2 4 1 56 380.88 3

Activity (Go SEA)

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