UCSF

ZINC65370302

Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2011 18 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) 1.05 5.59 -40.34 2 5 1 60 257.354 6
Hi High (pH 8-9.5) 1.05 3.43 -12.35 1 5 0 59 256.346 6

Activity (Go SEA)

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