UCSF

ZINC36273095

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) 2.23 6.55 -82.09 4 7 2 71 367.453 3
Hi High (pH 8-9.5) 2.23 5.03 -11.84 2 7 0 68 365.437 3
Mid Mid (pH 6-8) 2.23 7.39 -49.88 3 7 1 69 366.445 3
Mid Mid (pH 6-8) 2.23 4.18 -30.39 3 7 1 70 366.445 3

Activity (Go SEA)

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