UCSF

ZINC08614093

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2007 30 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) 3.39 7.19 -13 3 7 0 104 423.494 6
Hi High (pH 8-9.5) 3.85 5.22 -44.21 2 7 -1 107 422.486 6

Activity (Go SEA)

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