UCSF

ZINC34578366

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 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) 4.65 9.21 -12.62 2 6 0 72 417.575 8
Lo Low (pH 4.5-6) 4.65 9.25 -30.86 3 6 1 74 418.583 8

Activity (Go SEA)

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