UCSF

ZINC20612171

Substance Information

In ZINC since Heavy atoms Benign functionality
November 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) 4.33 9.41 -24.99 2 7 0 96 512.031 6
Hi High (pH 8-9.5) 4.33 9.48 -57.37 1 7 -1 98 511.023 6

Activity (Go SEA)

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