UCSF

ZINC52457525

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 25 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) 1.30 8.77 -51.36 1 6 1 54 348.467 7
Hi High (pH 8-9.5) 1.30 6.54 -15 0 6 0 53 347.459 7

Activity (Go SEA)

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