UCSF

ZINC42205181

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 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) 2.48 3.29 -8.6 1 5 0 72 312.174 5
Hi High (pH 8-9.5) 2.48 3.14 -37.3 0 5 -1 75 311.166 5

Activity (Go SEA)

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