UCSF

ZINC02961299

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) 5.11 -1.28 -15.19 1 4 0 54 359.454 3
Lo Low (pH 4.5-6) 5.11 -1.19 -40.9 2 4 1 56 360.462 3

Activity (Go SEA)

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