UCSF

ZINC40184665

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) 3.41 9.58 -19.4 1 7 0 78 430.508 10
Mid Mid (pH 6-8) 3.41 9.87 -41.35 2 7 1 80 431.516 10

Activity (Go SEA)

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