UCSF

ZINC16310538

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2008 35 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) 3.20 4.7 -20.31 2 9 0 122 515.613 7
Hi High (pH 8-9.5) 3.20 4.79 -48 1 9 -1 124 514.605 7

Activity (Go SEA)

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