UCSF

ZINC39957323

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 14 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) 0.64 2.7 -12.64 1 5 0 72 196.206 4
Hi High (pH 8-9.5) 1.10 0.13 -44.03 0 5 -1 75 195.198 4

Activity (Go SEA)

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