UCSF

ZINC60313786

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 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) 1.01 3.93 -41.38 2 3 1 34 171.264 3
Hi High (pH 8-9.5) 1.01 1.31 -6.89 1 3 0 32 170.256 3

Activity (Go SEA)

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