UCSF

ZINC36272092

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 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) 1.65 7.65 -47.44 3 6 1 64 337.451 4
Mid Mid (pH 6-8) 1.65 6.38 -44.75 3 6 1 64 337.451 4
Mid Mid (pH 6-8) 1.65 5.38 -10.78 2 6 0 63 336.443 4
Lo Low (pH 4.5-6) 1.65 7.75 -78.36 4 6 2 65 338.459 4

Activity (Go SEA)

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