UCSF

ZINC36237915

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 27 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) 3.38 10.72 -50.91 2 5 1 46 365.501 5
Mid Mid (pH 6-8) 3.38 10.68 -83.3 3 5 2 48 366.509 5

Activity (Go SEA)

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