UCSF

ZINC37271690

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 13 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) -0.91 2.74 -22.41 1 5 0 66 186.211 4
Hi High (pH 8-9.5) -0.17 1.61 -59.53 1 5 -1 72 185.203 3

Activity (Go SEA)

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