UCSF

ZINC34924568

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 17 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) 2.64 6.64 -108.43 4 2 2 32 240.435 4
Mid Mid (pH 6-8) 2.64 5.64 -40.7 3 2 1 31 239.427 4

Activity (Go SEA)

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