UCSF

ZINC35649873

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 12 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) 0.20 0.11 -36.54 3 4 1 54 175.252 6
Hi High (pH 8-9.5) 0.20 -2.14 -8.82 2 4 0 53 174.244 6

Activity (Go SEA)

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