UCSF

ZINC20302463

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 19 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) 3.32 6.9 -37.83 3 3 1 46 267.437 4
Hi High (pH 8-9.5) 3.32 5.95 -8.91 2 3 0 41 266.429 4

Activity (Go SEA)

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