UCSF

ZINC40234799

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 30 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) 6.90 14.26 -9.94 0 4 0 36 400.522 8
Lo Low (pH 4.5-6) 6.90 14.92 -29.83 1 4 1 38 401.53 8

Activity (Go SEA)

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