UCSF

ZINC36272078

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 27 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) 2.73 8.81 -45.83 3 6 1 60 366.489 5
Mid Mid (pH 6-8) 2.73 7.62 -39.23 3 6 1 60 366.489 5
Mid Mid (pH 6-8) 2.73 9.23 -76.05 4 6 2 61 367.497 5
Mid Mid (pH 6-8) 2.73 6.53 -12.04 2 6 0 59 365.481 5

Activity (Go SEA)

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