UCSF

ZINC34873647

Substance Information

In ZINC since Heavy atoms Benign functionality
September 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) 4.26 7.83 -11.97 2 5 0 75 383.451 5
Hi High (pH 8-9.5) 4.26 8.62 -53.92 1 5 -1 78 382.443 5

Activity (Go SEA)

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