UCSF

ZINC36193206

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 25 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) 4.19 11.22 -43.25 2 3 1 34 343.466 7
Mid Mid (pH 6-8) 4.19 9.18 -7.86 1 3 0 32 342.458 7

Activity (Go SEA)

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