UCSF

ZINC36103707

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 28 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) 3.00 11.36 -47.23 1 4 1 28 378.54 5
Hi High (pH 8-9.5) 3.00 9.47 -9.42 0 4 0 27 377.532 5
Mid Mid (pH 6-8) 3.00 11.71 -46.47 1 4 1 28 378.54 5

Activity (Go SEA)

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