UCSF

ZINC36238136

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.63 8.43 -84.04 3 6 2 57 382.508 5
Mid Mid (pH 6-8) 2.63 7.84 -49.61 2 6 1 56 381.5 5

Activity (Go SEA)

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