UCSF

ZINC35517213

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 30 No

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) 5.04 9.38 -53.36 1 7 -1 108 419.438 5
Mid Mid (pH 6-8) 5.30 10.14 -96.7 0 7 -2 107 418.43 6
Mid Mid (pH 6-8) 5.49 7.41 -102.84 0 7 -2 111 418.43 5
Lo Low (pH 4.5-6) 5.29 9.56 -98.6 0 7 -2 107 418.43 6

Activity (Go SEA)

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