UCSF

ZINC45912075

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2010 21 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) 1.64 5.84 -11.42 2 4 0 54 283.375 5
Mid Mid (pH 6-8) 1.64 7.22 -55.42 3 4 1 59 284.383 5
Lo Low (pH 4.5-6) 1.64 6.29 -37.75 3 4 1 55 284.383 5

Activity (Go SEA)

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