UCSF

ZINC39917578

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 4.56 12.59 -48.03 1 5 1 35 428 9
Hi High (pH 8-9.5) 4.56 10.22 -13.66 0 5 0 34 426.992 9
Mid Mid (pH 6-8) 4.56 12.48 -50.93 1 5 1 35 428 9
Lo Low (pH 4.5-6) 4.56 12.89 -80.38 2 5 2 36 429.008 9

Activity (Go SEA)

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