UCSF

ZINC36638613

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 25 No

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) 2.53 4.18 -18.07 0 6 0 76 382.507 4
Lo Low (pH 4.5-6) 2.53 5.47 -38.06 1 6 1 78 383.515 4

Activity (Go SEA)

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