UCSF

ZINC36141102

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 22 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) 2.47 2.94 -11.98 2 6 0 84 301.346 6
Hi High (pH 8-9.5) 2.93 1.22 -47.85 1 6 -1 87 300.338 6

Activity (Go SEA)

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