UCSF

ZINC17421864

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2008 39 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) 7.11 12.6 -49.29 3 8 1 97 527.693 12
Hi High (pH 8-9.5) 6.34 12.32 -80.31 2 8 0 100 526.685 13

Activity (Go SEA)

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