UCSF

ZINC34467786

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 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) 4.94 9.81 -13.71 2 5 0 82 386.451 8
Hi High (pH 8-9.5) 4.94 10.57 -38.66 1 5 -1 85 385.443 8

Activity (Go SEA)

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