UCSF

ZINC40417807

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 25 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) 4.97 12.9 -57.29 0 4 -1 58 333.411 4
Lo Low (pH 4.5-6) 4.97 13.24 -50.08 1 4 0 59 334.419 4

Activity (Go SEA)

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