UCSF

ZINC38549753

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 26 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) 5.30 10.71 -30.81 1 3 1 23 354.514 1
Hi High (pH 8-9.5) 5.30 8.87 -5.04 0 3 0 22 353.506 1

Activity (Go SEA)

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