UCSF

ZINC34979681

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 15 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) 1.18 3.93 -44.76 3 6 1 92 210.213 4
Hi High (pH 8-9.5) 1.18 2.49 -8.31 2 6 0 87 209.205 4

Activity (Go SEA)

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