UCSF

ZINC03955418

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2005 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) 5.34 3.88 -10.29 0 3 0 39 393.502 4
Lo Low (pH 4.5-6) 5.34 4 -49.13 1 3 1 40 394.51 4

Activity (Go SEA)

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