UCSF

ZINC42164549

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 17 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) -2.02 0.14 -80.62 4 7 0 117 243.263 5
Hi High (pH 8-9.5) -2.02 -0.27 -52.23 3 7 -1 116 242.255 5

Activity (Go SEA)

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