UCSF

ZINC36272091

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 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) 2.61 7.23 -81.61 4 7 2 71 381.48 4
Hi High (pH 8-9.5) 2.61 5.8 -11.64 2 7 0 68 379.464 4
Mid Mid (pH 6-8) 2.61 8.08 -48.53 3 7 1 69 380.472 4
Mid Mid (pH 6-8) 2.61 4.98 -30.13 3 7 1 70 380.472 4

Activity (Go SEA)

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