UCSF

ZINC19218170

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 28 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) 0.98 3.79 -26.18 2 8 0 105 385.42 3
Hi High (pH 8-9.5) 1.17 2.01 -55.17 1 8 -1 111 384.412 3

Activity (Go SEA)

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