UCSF

ZINC31978302

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.48 2.81 -51.42 3 5 1 60 270.36 3
Hi High (pH 8-9.5) 1.48 2.43 -10.82 2 5 0 58 269.352 3
Lo Low (pH 4.5-6) 1.48 2.89 -108.43 4 5 2 61 271.368 3

Activity (Go SEA)

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