UCSF

ZINC34964773

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 26 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) 5.24 9.84 -13.13 1 5 0 60 410.271 5
Hi High (pH 8-9.5) 5.24 9.43 -47.3 0 5 -1 58 409.263 5

Activity (Go SEA)

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