UCSF

ZINC35517751

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 31 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) 5.41 10.5 -19.82 1 8 0 113 435.461 6
Mid Mid (pH 6-8) 5.67 11.03 -56.97 0 8 -1 112 434.453 7
Mid Mid (pH 6-8) 5.87 8.66 -65.09 0 8 -1 117 434.453 6
Lo Low (pH 4.5-6) 5.67 10.81 -59.81 0 8 -1 112 434.453 7

Activity (Go SEA)

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