UCSF

ZINC22753479

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 25 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) 3.78 9.72 -21.12 1 5 0 60 362.405 4
Hi High (pH 8-9.5) 3.85 8.8 -54.11 0 5 -1 66 361.397 4

Activity (Go SEA)

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