UCSF

ZINC37042497

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 16 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) 0.13 3.49 -86.97 5 4 2 61 223.32 4
Hi High (pH 8-9.5) 0.13 3.18 -40.26 4 4 1 60 222.312 4

Activity (Go SEA)

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