UCSF

ZINC37058459

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 No

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) 3.73 5.04 -11.87 2 6 0 87 308.721 5
Hi High (pH 8-9.5) 3.73 5.8 -43.86 1 6 -1 90 307.713 5

Activity (Go SEA)

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