UCSF

ZINC36613367

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 30 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) 4.26 11.72 -12.09 1 6 0 84 395.466 4
Hi High (pH 8-9.5) 4.33 9.86 -45.76 0 6 -1 90 394.458 4

Activity (Go SEA)

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