UCSF

ZINC60697070

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2011 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) 1.80 2.98 -38.99 3 2 1 37 251.169 4
Hi High (pH 8-9.5) 1.80 2.64 -3.6 2 2 0 35 250.161 4

Activity (Go SEA)

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