UCSF

ZINC40183975

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 32 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) 3.35 12.45 -12.96 0 6 0 60 428.536 8
Mid Mid (pH 6-8) 3.35 13.3 -36.83 1 6 1 62 429.544 8

Activity (Go SEA)

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