UCSF

ZINC01464351

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2004 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) 5.71 -0.01 -8.37 3 4 0 68 427.451 4
Lo Low (pH 4.5-6) 5.71 0.11 -34.81 4 4 1 69 428.459 4

Activity (Go SEA)

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