UCSF

ZINC40184137

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 31 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 3.79 10.9 -17.43 1 6 0 69 414.509 8
Lo Low (pH 4.5-6) 3.79 11.19 -42.38 2 6 1 70 415.517 8

Activity (Go SEA)

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