UCSF

ZINC27106510

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2009 34 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) 2.91 14.59 -51.29 2 6 1 59 459.614 5
Hi High (pH 8-9.5) 2.91 12.38 -15.02 1 6 0 58 458.606 5

Activity (Go SEA)

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