UCSF

ZINC01381486

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 23 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) 2.79 7.34 -15.25 1 6 0 75 356.517 6
Hi High (pH 8-9.5) 2.97 7.22 -44.2 0 6 -1 82 355.509 6

Activity (Go SEA)

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