UCSF

ZINC40192320

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 33 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) 3.84 11.84 -17.03 1 7 0 75 445.519 11
Mid Mid (pH 6-8) 3.84 12.33 -41.55 2 7 1 76 446.527 11

Activity (Go SEA)

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