UCSF

ZINC31082552

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2009 23 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) 3.92 8.12 -14.46 1 4 0 51 306.365 4
Lo Low (pH 4.5-6) 3.92 8.41 -43.74 2 4 1 52 307.373 4

Activity (Go SEA)

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