UCSF

ZINC26773587

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2009 27 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) 2.26 6.76 -15.81 1 7 0 81 389.477 8
Lo Low (pH 4.5-6) 2.26 7.1 -35.97 2 7 1 82 390.485 8

Activity (Go SEA)

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