UCSF

ZINC11785988

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2008 30 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) 1.98 2.23 -38.5 1 7 1 65 408.526 9
Lo Low (pH 4.5-6) 1.98 2.22 -90.24 2 7 2 66 409.534 9

Activity (Go SEA)

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