UCSF

ZINC36215585

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 24 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) 2.05 4.16 -43.33 1 6 1 58 375.946 6
Mid Mid (pH 6-8) 2.05 6.3 -109.62 2 6 2 59 376.954 6
Mid Mid (pH 6-8) 2.05 3.83 -44.84 1 6 1 58 375.946 6

Activity (Go SEA)

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